A-943931 HCL
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MedKoo CAT#: 581019

CAS#: 1227675-50-4 (HCL)

Description: A-943931 is Potent and selective H4 antagonist. Potent and selective histamine H4 receptor antagonist (pKi values are 7.15 and 8.12 at human and rat receptors respectively). Blocks inflammation in a peritonitis mouse model and displays efficacy in inflammatory pain and neuropathic pain models. Shows anti-inflammatory and analgesic effects in vivo. Orally active.


Chemical Structure

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A-943931 HCL
CAS# 1227675-50-4 (HCL)

Theoretical Analysis

MedKoo Cat#: 581019
Name: A-943931 HCL
CAS#: 1227675-50-4 (HCL)
Chemical Formula: C17H23Cl2N5
Exact Mass: 295.1797
Molecular Weight: 368.31
Elemental Analysis: C, 55.44; H, 6.29; Cl, 19.25; N, 19.02

Price and Availability

Size Price Availability Quantity
10.0mg USD 330.0 2 Weeks
50.0mg USD 1080.0 2 Weeks
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Related CAS #: 1227675-50-4 (HCL); 1227675-50-4  

Synonym: A-943931 Dihydrochloride; A-943931 HCL; A 943931 HCI; A-943931(HCL); A-943931-HCI; A-943931Dihydrochloride; A 943931 Dihydrochloride; A-943931-Dihydrochloride, A943931Dihydrochloride.

IUPAC/Chemical Name: (R)-4-(3-aminopyrrolidin-1-yl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine dihydrochloride

InChi Key: ISYUFRNZHUOGLA-CURYUGHLSA-N

InChi Code: InChI=1S/C17H21N5.2ClH/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16;;/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21);2*1H/t12-;;/m1../s1

SMILES Code: NC1=NC(N2C[C@H](N)CC2)=C(CCCC3=CC=CC=C34)C4=N1.[H]Cl.[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: 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

Preparing Stock Solutions

The following data is based on the product molecular weight 368.31 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

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1: Cowart MD, Altenbach RJ, Liu H, Hsieh GC, Drizin I, Milicic I, Miller TR,
Witte DG, Wishart N, Fix-Stenzel SR, McPherson MJ, Adair RM, Wetter JM,
Bettencourt BM, Marsh KC, Sullivan JP, Honore P, Esbenshade TA, Brioni JD.
Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class
of histamine H4 receptor antagonists with improved druglikeness and in vivo
efficacy in pain and inflammation models. J Med Chem. 2008 Oct 23;51(20):6547-57.
doi: 10.1021/jm800670r. Epub 2008 Sep 26. PubMed PMID: 18817367.