VU0357017 HCl
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MedKoo CAT#: 531332

CAS#: 1135242-13-5

Description: VU0357017, also known as CID 25010775, is a subtype-selective M1 muscarinic acetylcholine allosteric agonist.

Chemical Structure

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VU0357017 HCl
CAS# 1135242-13-5
Instruction

Theoretical Analysis

MedKoo Cat#: 531332
Name: VU0357017 HCl
CAS#: 1135242-13-5
Chemical Formula: C18H28ClN3O3
Exact Mass: 0.00
Molecular Weight: 369.890
Elemental Analysis: C, 58.45; H, 7.63; Cl, 9.58; N, 11.36; O, 12.98

Price and Availability

Size Price Availability Quantity
100mg USD 450
200mg USD 750
500mg USD 1450
1g USD 2650
2g USD 4350
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Synonym: VU0357017, VU-0357017, VU 0357017, CID 25010775, CID25010775, CID-25010775

IUPAC/Chemical Name: 4-[[2-[(2-methylbenzoyl)amino]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester, monohydrochloride

InChi Key: XKJQVUIXSBOCPP-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H

SMILES Code: O=C(N1CCC(NCCNC(C2=CC=CC=C2C)=O)CC1)OCC.[H]Cl

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:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 369.89 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:
In vitro protocol:
In vivo protocol:

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1: Jadeja RN, Urrunaga NH, Ahmad D, Khurana S. Data regarding M1 muscarinic receptor-mediated modulation of hepatic catalase activity in response to oxidative stress. Data Brief. 2015 Dec 18;6:405-9. doi: 10.1016/j.dib.2015.12.025. PubMed PMID: 26862589; PubMed Central PMCID: PMC4707288.

2: Digby GJ, Utley TJ, Lamsal A, Sevel C, Sheffler DJ, Lebois EP, Bridges TM, Wood MR, Niswender CM, Lindsley CW, Conn PJ. Chemical modification of the M(1) agonist VU0364572 reveals molecular switches in pharmacology and a bitopic binding mode. ACS Chem Neurosci. 2012 Dec 19;3(12):1025-36. doi: 10.1021/cn300103e. PubMed PMID: 23259038; PubMed Central PMCID: PMC3526969.

3: Sheffler DJ, Sevel C, Le U, Lovell KM, Tarr JC, Carrington SJ, Cho HP, Digby GJ, Niswender CM, Conn PJ, Hopkins CR, Wood MR, Lindsley CW. Further exploration of M₁ allosteric agonists: subtle structural changes abolish M₁ allosteric agonism and result in pan-mAChR orthosteric antagonism. Bioorg Med Chem Lett. 2013 Jan 1;23(1):223-7. doi: 10.1016/j.bmcl.2012.10.132. PubMed PMID: 23200253; PubMed Central PMCID: PMC3525729.

4: Digby GJ, Noetzel MJ, Bubser M, Utley TJ, Walker AG, Byun NE, Lebois EP, Xiang Z, Sheffler DJ, Cho HP, Davis AA, Nemirovsky NE, Mennenga SE, Camp BW, Bimonte-Nelson HA, Bode J, Italiano K, Morrison R, Daniels JS, Niswender CM, Olive MF, Lindsley CW, Jones CK, Conn PJ. Novel allosteric agonists of M1 muscarinic acetylcholine receptors induce brain region-specific responses that correspond with behavioral effects in animal models. J Neurosci. 2012 Jun 20;32(25):8532-44. doi: 10.1523/JNEUROSCI.0337-12.2012. PubMed PMID: 22723693; PubMed Central PMCID: PMC3398407.

5: Thomsen M, Lindsley CW, Conn PJ, Wessell JE, Fulton BS, Wess J, Caine SB. Contribution of both M1 and M4 receptors to muscarinic agonist-mediated attenuation of the cocaine discriminative stimulus in mice. Psychopharmacology (Berl). 2012 Apr;220(4):673-85. doi: 10.1007/s00213-011-2516-9. PubMed PMID: 21964721; PubMed Central PMCID: PMC3314162.

6: Lebois EP, Bridges TM, Lewis LM, Dawson ES, Kane AS, Xiang Z, Jadhav SB, Yin H, Kennedy JP, Meiler J, Niswender CM, Jones CK, Conn PJ, Weaver CD, Lindsley CW. Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system. ACS Chem Neurosci. 2010;1(2):104-121. PubMed PMID: 21961051; PubMed Central PMCID: PMC3180826.