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MedKoo Cat#: 565084 | Name: HMR1031

Description:

WARNING: This product is for research use only, not for human or veterinary use.

HMR1031 is a potent and specific integrin α4ß1 or very late antigen 4 (VLA-4) receptor antagonist which binds to vascular cell adhesion molecule-1 (VCAM-1) and fibronectin.

Chemical Structure

HMR1031
HMR1031
CAS#479203-71-9

Theoretical Analysis

MedKoo Cat#: 565084

Name: HMR1031

CAS#: 479203-71-9

Chemical Formula: C35H41N5O6

Exact Mass: 627.3057

Molecular Weight: 627.74

Elemental Analysis: C, 66.97; H, 6.58; N, 11.16; O, 15.29

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
HMR-1031; HMR 1031; HMR1031
IUPAC/Chemical Name
(3S)-3-[[(2S)-2-[4,4-Dimethyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
InChi Key
OPZVCXYTOHAOHN-VMPREFPWSA-N
InChi Code
InChI=1S/C35H41N5O6/c1-22(2)19-29(31(43)37-28(20-30(41)42)25-12-7-6-8-13-25)40-32(44)35(4,5)39(34(40)46)21-24-15-17-26(18-16-24)36-33(45)38-27-14-10-9-11-23(27)3/h6-18,22,28-29H,19-21H2,1-5H3,(H,37,43)(H,41,42)(H2,36,38,45)/t28-,29-/m0/s1
SMILES Code
O=C(O)C[C@H](NC([C@@H](N(C(N(CC1=CC=C(NC(NC2=CC=CC=C2C)=O)C=C1)C3(C)C)=O)C3=O)CC(C)C)=O)C4=CC=CC=C4
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 627.74 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
1: Diamant Z, Kuperus J, Baan R, Nietzmann K, Millet S, Mendes P, Miller B, Amin D, Rohatagi S, Sterk PJ, Hoogsteden HC, Prins JB. Effect of a very late antigen-4 receptor antagonist on allergen-induced airway responses and inflammation in asthma. Clin Exp Allergy. 2005 Aug;35(8):1080-7. PubMed PMID: 16120091. 2: Crofts F, Rohatagi S, Pino M, DeLise B, Zhang J, Nguyen M, Guittin P, Barbellion S, Brunel P, Hofmann T, Schmidt J, Wong M, Lockey P, Lerman S, Clark R. Critical period for a teratogenic VLA-4 antagonist: Developmental effects and comparison of embryo drug concentrations of teratogenic and non-teratogenic VLA-4 antagonists. Birth Defects Res B Dev Reprod Toxicol. 2004 Apr;71(2):69-79. PubMed PMID: 15098200. 3: Shah B, Jensen BK, Zhang J, Hunt T, Rohatagi S. Effect of food on pharmacokinetics of an inhaled drug: a case study with a VLA-4 antagonist, HMR1031. J Clin Pharmacol. 2003 Dec;43(12):1341-9. PubMed PMID: 14615470. 4: Rohatagi S, Chapel S, Kirkesseli S, Newman S, Zhang J, Paccaly D, Randall L, Wray H, Wellington S, Shah B, Jensen BK. Pharmacoscintigraphic comparison of HMR 1031, a VLA-4 antagonist, in healthy volunteers following delivery via a nebulizer and a dry powder inhaler. Am J Ther. 2004 Mar-Apr;11(2):103-13. PubMed PMID: 14999362. 5: Crofts F, Pino M, DeLise B, Guittin P, Barbellion S, Brunel P, Potdevin S, Bergmann B, Hofmann T, Lerman S, Clark RL. Different embryo-fetal toxicity effects for three VLA-4 antagonists. Birth Defects Res B Dev Reprod Toxicol. 2004 Apr;71(2):55-68. PubMed PMID: 15098199.