Y-39983 HCl
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MedKoo CAT#: 556052

CAS#: 471843-75-1 (HCl)

Description: Y-39983, also known as Y-33075, is a potent and selective inhibitor of ROCK family with IC50 value of 3.6nM for ROCK. Y-39983 attenuates experimental autoimmune encephalomyelitis via inhibition of demyelination. Y-39983 downregulates RhoA/Rho-associated kinase expression during its promotion of axonal regeneration. Y-39983, promotes regeneration of crushed axons of retinal ganglion cells into the optic nerve of adult cats.


Chemical Structure

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Y-39983 HCl
CAS# 471843-75-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 556052
Name: Y-39983 HCl
CAS#: 471843-75-1 (HCl)
Chemical Formula: C16H17ClN4O
Exact Mass: 316.1091
Molecular Weight: 316.789
Elemental Analysis: C, 60.66; H, 5.41; Cl, 11.19; N, 17.69; O, 5.05

Price and Availability

Size Price Availability Quantity
5.0mg USD 150.0 Ready to ship
10.0mg USD 250.0 Ready to ship
25.0mg USD 450.0 Ready to ship
50.0mg USD 750.0 Ready to ship
100.0mg USD 1250.0 Ready to ship
200.0mg USD 1950.0 Ready to ship
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Related CAS #: 173897-44-4 (2HCl)   199433-58-4 (free base)   471843-75-1 (HCl)  

Synonym: Y-39983 HCl; Y-39983 monohydrochloride; Y-39983 hydrochloride; Y-39983; Y 39983; Y39983; Y-33075; Y 33075; Y33075.

IUPAC/Chemical Name: (R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide hydrochloride

InChi Key: IILQESWQPZIAGP-HNCPQSOCSA-N

InChi Code: InChI=1S/C16H16N4O.ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;/h2-10H,17H2,1H3,(H2,18,19,20,21);1H/t10-;/m1./s1

SMILES Code: O=C(NC1=C2C(NC=C2)=NC=C1)C3=CC=C([C@H](N)C)C=C3.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: Y-39983, also known as Y-33075, is a potent and selective inhibitor of ROCK family with IC50 value of 3.6nM for ROCK.
In vitro activity: In subsequent cell-based BST-2 degradation assays, inhibitor Y-39983 HCl restored the cell-surface and total cellular level of BST-2 in the presence of Vpu. Furthermore, the Vpu-mediated enhancement of pesudotyped viral particle production was inhibited by Y-39983 HCl. Reference: Int J Mol Sci. 2021 Aug 27;22(17):9308. https://pubmed.ncbi.nlm.nih.gov/34502213/
In vivo activity: TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 316.789 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Li B, Dong X, Zhang W, Chen T, Yu B, Zhao W, Yang Y, Wang X, Hu Q, Wang X. High-Throughput NanoBiT-Based Screening for Inhibitors of HIV-1 Vpu and Host BST-2 Protein Interaction. Int J Mol Sci. 2021 Aug 27;22(17):9308. doi: 10.3390/ijms22179308. PMID: 34502213; PMCID: PMC8431494. 2. Ramachandran C, Patil RV, Combrink K, Sharif NA, Srinivas SP. Rho-Rho kinase pathway in the actomyosin contraction and cell-matrix adhesion in immortalized human trabecular meshwork cells. Mol Vis. 2011;17:1877-90. Epub 2011 Jul 14. PMID: 21850162; PMCID: PMC3144732.
In vitro protocol: 1. Li B, Dong X, Zhang W, Chen T, Yu B, Zhao W, Yang Y, Wang X, Hu Q, Wang X. High-Throughput NanoBiT-Based Screening for Inhibitors of HIV-1 Vpu and Host BST-2 Protein Interaction. Int J Mol Sci. 2021 Aug 27;22(17):9308. doi: 10.3390/ijms22179308. PMID: 34502213; PMCID: PMC8431494. 2. Ramachandran C, Patil RV, Combrink K, Sharif NA, Srinivas SP. Rho-Rho kinase pathway in the actomyosin contraction and cell-matrix adhesion in immortalized human trabecular meshwork cells. Mol Vis. 2011;17:1877-90. Epub 2011 Jul 14. PMID: 21850162; PMCID: PMC3144732.
In vivo protocol: TBD

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1: Li B, Dong X, Zhang W, Chen T, Yu B, Zhao W, Yang Y, Wang X, Hu Q, Wang X. High-Throughput NanoBiT-Based Screening for Inhibitors of HIV-1 Vpu and Host BST-2 Protein Interaction. Int J Mol Sci. 2021 Aug 27;22(17):9308. doi: 10.3390/ijms22179308. PMID: 34502213; PMCID: PMC8431494.

2: Zhou EH, Paolucci M, Dryja TP, Manley T, Xiang C, Rice DS, Prasanna G, Chen A. A Compact Whole-Eye Perfusion System to Evaluate Pharmacologic Responses of Outflow Facility. Invest Ophthalmol Vis Sci. 2017 Jun 1;58(7):2991-3003. doi: 10.1167/iovs.16-20974. PMID: 28605810.

3: Inoue T, Tanihara H, Tokushige H, Araie M. Efficacy and safety of SNJ-1656 in primary open-angle glaucoma or ocular hypertension. Acta Ophthalmol. 2015 Aug;93(5):e393-5. doi: 10.1111/aos.12641. Epub 2015 Mar 17. PMID: 25783615.

4: Chen KG, Hamilton RS, Robey PG, Mallon BS. Alternative cultures for human pluripotent stem cell production, maintenance, and genetic analysis. J Vis Exp. 2014 Jul 24;(89):51519. doi: 10.3791/51519. PMID: 25077932; PMCID: PMC4206262.

5: Chen HH, Namil A, Severns B, Ward J, Kelly C, Drace C, McLaughlin MA, Yacoub S, Li B, Patil R, Sharif N, Hellberg MR, Rusinko A, Pang IH, Combrink KD. In vivo optimization of 2,3-diaminopyrazine Rho Kinase inhibitors for the treatment of glaucoma. Bioorg Med Chem Lett. 2014 Apr 15;24(8):1875-9. doi: 10.1016/j.bmcl.2014.03.017. Epub 2014 Mar 19. PMID: 24684843.

6: Van de Velde S, Van Bergen T, Sijnave D, Hollanders K, Castermans K, Defert O, Leysen D, Vandewalle E, Moons L, Stalmans I. AMA0076, a novel, locally acting Rho kinase inhibitor, potently lowers intraocular pressure in New Zealand white rabbits with minimal hyperemia. Invest Ophthalmol Vis Sci. 2014 Feb 18;55(2):1006-16. doi: 10.1167/iovs.13-13157. PMID: 24474276.

7: Okumura N, Nakano S, Kay EP, Numata R, Ota A, Sowa Y, Sakai T, Ueno M, Kinoshita S, Koizumi N. Involvement of cyclin D and p27 in cell proliferation mediated by ROCK inhibitors Y-27632 and Y-39983 during corneal endothelium wound healing. Invest Ophthalmol Vis Sci. 2014 Jan 15;55(1):318-29. doi: 10.1167/iovs.13-12225. PMID: 24106120.

8: Gao C, Huang L, Long Y, Zheng J, Yang J, Pu S, Xie L. Y-39983, a selective Rho-kinase inhibitor, attenuates experimental autoimmune encephalomyelitis via inhibition of demyelination. Neuroimmunomodulation. 2013;20(6):334-40. doi: 10.1159/000353568. Epub 2013 Aug 30. PMID: 24008512.

9: Yang Z, Wang J, Liu X, Cheng Y, Deng L, Zhong Y. Y-39983 downregulates RhoA/Rho-associated kinase expression during its promotion of axonal regeneration. Oncol Rep. 2013 Mar;29(3):1140-6. doi: 10.3892/or.2012.2205. Epub 2012 Dec 20. PMID: 23258382.

10: Tokushige H, Waki M, Takayama Y, Tanihara H. Effects of Y-39983, a selective Rho-associated protein kinase inhibitor, on blood flow in optic nerve head in rabbits and axonal regeneration of retinal ganglion cells in rats. Curr Eye Res. 2011 Oct;36(10):964-70. doi: 10.3109/02713683.2011.599106. PMID: 21950703.

11: Ramachandran C, Patil RV, Combrink K, Sharif NA, Srinivas SP. Rho-Rho kinase pathway in the actomyosin contraction and cell-matrix adhesion in immortalized human trabecular meshwork cells. Mol Vis. 2011;17:1877-90. Epub 2011 Jul 14. PMID: 21850162; PMCID: PMC3144732.

12: Watabe H, Abe S, Yoshitomi T. Effects of Rho-associated protein kinase inhibitors Y-27632 and Y-39983 on isolated rabbit ciliary arteries. Jpn J Ophthalmol. 2011 Jul;55(4):411-417. doi: 10.1007/s10384-011-0048-9. Epub 2011 Jun 11. PMID: 21667088.

13: Watanabe M. Regeneration of optic nerve fibers of adult mammals. Dev Growth Differ. 2010 Sep;52(7):567-76. doi: 10.1111/j.1440-169X.2010.01203.x. PMID: 20887558.

14: Whitlock NA, McKnight B, Corcoran KN, Rodriguez LA, Rice DS. Increased intraocular pressure in mice treated with dexamethasone. Invest Ophthalmol Vis Sci. 2010 Dec;51(12):6496-503. doi: 10.1167/iovs.10-5430. Epub 2010 Jul 29. PMID: 20671272.

15: Whitlock NA, Harrison B, Mixon T, Yu XQ, Wilson A, Gerhardt B, Eberhart DE, Abuin A, Rice DS. Decreased intraocular pressure in mice following either pharmacological or genetic inhibition of ROCK. J Ocul Pharmacol Ther. 2009 Jun;25(3):187-94. doi: 10.1089/jop.2008.0142. PMID: 19456252.

16: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2008 Sep;30(7):543-88. PMID: 18985183.

17: Watanabe M. [Optic nerve regeneration in adult mammals]. Nihon Shinkei Seishin Yakurigaku Zasshi. 2008 Jun;28(3):143-8. Japanese. PMID: 18646601.

18: Tokushige H, Inatani M, Nemoto S, Sakaki H, Katayama K, Uehata M, Tanihara H. Effects of topical administration of y-39983, a selective rho-associated protein kinase inhibitor, on ocular tissues in rabbits and monkeys. Invest Ophthalmol Vis Sci. 2007 Jul;48(7):3216-22. doi: 10.1167/iovs.05-1617. PMID: 17591891.

19: Sagawa H, Terasaki H, Nakamura M, Ichikawa M, Yata T, Tokita Y, Watanabe M. A novel ROCK inhibitor, Y-39983, promotes regeneration of crushed axons of retinal ganglion cells into the optic nerve of adult cats. Exp Neurol. 2007 May;205(1):230-40. doi: 10.1016/j.expneurol.2007.02.002. Epub 2007 Feb 14. PMID: 17359977.

20: Nakajima E, Nakajima T, Minagawa Y, Shearer TR, Azuma M. Contribution of ROCK in contraction of trabecular meshwork: proposed mechanism for regulating aqueous outflow in monkey and human eyes. J Pharm Sci. 2005 Apr;94(4):701-8. doi: 10.1002/jps.20285. PMID: 15682386.