RhoA-IN-Y16
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MedKoo CAT#: 406988

CAS#: 429653-73-6

Description: Y16, also known as RhoA-IN-Y16, is a RhoA inhibitor, Y16 blocks the binding of LARG, a DBL-family Rho guanine nucleotide exchange factor, with Rho (Kd = 80 nM). Y16 specifically inhibits LARG catalyzed activation of RhoA and RhoA signaling pathways. Y16 blocks the growth and migration of MCF7 breast cancer cells.

Chemical Structure

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RhoA-IN-Y16
CAS# 429653-73-6
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 406988
Name: RhoA-IN-Y16
CAS#: 429653-73-6
Chemical Formula: C24H20N2O3
Exact Mass: 384.15
Molecular Weight: 384.435
Elemental Analysis: C, 74.98; H, 5.24; N, 7.29; O, 12.49

Price and Availability

Size Price Availability Quantity
5mg USD 90 Ready to Ship
10mg USD 150 Ready to Ship
25mg USD 250 Ready to Ship
50mg USD 450 Ready to Ship
100mg USD 750 Ready to Ship
200mg USD 1350 Ready to Ship
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Synonym: RhoA-IN-Y16; Y16; Y-16; Y 16.

IUPAC/Chemical Name: (E)-4-(3-((3-methylbenzyl)oxy)benzylidene)-1-phenylpyrazolidine-3,5-dione

InChi Key: ITMLWGWTDWJSRZ-PXLXIMEGSA-N

InChi Code: InChI=1S/C24H20N2O3/c1-17-7-5-9-19(13-17)16-29-21-12-6-8-18(14-21)15-22-23(27)25-26(24(22)28)20-10-3-2-4-11-20/h2-15H,16H2,1H3,(H,25,27)/b22-15+

SMILES Code: O=C(/C1=C\C2=CC=CC(OCC3=CC=CC(C)=C3)=C2)NN(C4=CC=CC=C4)C1=O

Appearance: White to off-white 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: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

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

More Info:

Biological target: Y16 is a specific inhibitor of Leukemia-associated Rho guanine nucleotide exchange factor (LARG) with a Kd value of 76 nM.
In vitro activity: In cells, Y16 selectively inhibits serum-induced RhoA activity and RhoA-mediated signaling, effects that can be rescued by a constitutively active RhoA or ROCK mutant. By suppressing RhoA activity, Y16 inhibits mammary sphere formation of MCF7 breast cancer cells but does not affect the nontransforming MCF10A cells. Reference: Proc Natl Acad Sci U S A. 2013 Feb 19;110(8):3155-60. https://pubmed.ncbi.nlm.nih.gov/23382194/
In vivo activity: Animal xenograft models were used to investigate antitumor effects after ARHGEF12 knockdown or treatment with the ARHGEF12 inhibitor Y16 in vivo. Targeting ARHGEF12 with the small molecular inhibitor Y16 induced cell differentiation and attenuated neuroblastoma tumorigenicity. Reference: Cell Oncol (Dordr). 2022 Dec 15. https://pubmed.ncbi.nlm.nih.gov/36520365/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 32.0 83.24

Preparing Stock Solutions

The following data is based on the product molecular weight 384.44 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. Shang X, Marchioni F, Evelyn CR, Sipes N, Zhou X, Seibel W, Wortman M, Zheng Y. Small-molecule inhibitors targeting G-protein-coupled Rho guanine nucleotide exchange factors. Proc Natl Acad Sci U S A. 2013 Feb 19;110(8):3155-60. doi: 10.1073/pnas.1212324110. Epub 2013 Feb 4. PMID: 23382194; PMCID: PMC3581902. 2. Chiu WC, Chiang JY, Chiang FT. Small chemical compounds Y16 and Rhosin can inhibit calcium sensitization pathway in vascular smooth muscle cells of spontaneously hypertensive rats. J Formos Med Assoc. 2021 Oct;120(10):1863-1868. doi: 10.1016/j.jfma.2021.03.031. Epub 2021 Apr 21. PMID: 33893012. 3. Yang Y, Wang S, Cai J, Liang J, Zhang Y, Xie Y, Luo F, Tang J, Gao Y, Shen S, Feng H, Li Y. Targeting ARHGEF12 promotes neuroblastoma differentiation, MYCN degradation, and reduces tumorigenicity. Cell Oncol (Dordr). 2022 Dec 15. doi: 10.1007/s13402-022-00739-9. Epub ahead of print. PMID: 36520365.
In vitro protocol: 1. Shang X, Marchioni F, Evelyn CR, Sipes N, Zhou X, Seibel W, Wortman M, Zheng Y. Small-molecule inhibitors targeting G-protein-coupled Rho guanine nucleotide exchange factors. Proc Natl Acad Sci U S A. 2013 Feb 19;110(8):3155-60. doi: 10.1073/pnas.1212324110. Epub 2013 Feb 4. PMID: 23382194; PMCID: PMC3581902. 2. Chiu WC, Chiang JY, Chiang FT. Small chemical compounds Y16 and Rhosin can inhibit calcium sensitization pathway in vascular smooth muscle cells of spontaneously hypertensive rats. J Formos Med Assoc. 2021 Oct;120(10):1863-1868. doi: 10.1016/j.jfma.2021.03.031. Epub 2021 Apr 21. PMID: 33893012.
In vivo protocol: 1. Yang Y, Wang S, Cai J, Liang J, Zhang Y, Xie Y, Luo F, Tang J, Gao Y, Shen S, Feng H, Li Y. Targeting ARHGEF12 promotes neuroblastoma differentiation, MYCN degradation, and reduces tumorigenicity. Cell Oncol (Dordr). 2022 Dec 15. doi: 10.1007/s13402-022-00739-9. Epub ahead of print. PMID: 36520365.

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