Valategrast HCl | CAS#828271-96-1 | CAS#220847-86-9 | Integrin α4β1 (VLA-4) Antagonist

MedKoo Cat#: 558279 | Name: Valategrast HCl

Description:

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

Valategrast HCl is a dual antagonist of integrin α4β1 (VLA-4) for the potential treatment of asthma.

Chemical Structure

Valategrast HCl

CAS#828271-96-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 558279

Name: Valategrast HCl

CAS#: 828271-96-1 (HCl)

Chemical Formula: C30H33Cl4N3O4

Exact Mass: 0.0000

Molecular Weight: 641.41

Elemental Analysis: C, 56.18; H, 5.19; Cl, 22.11; N, 6.55; O, 9.98

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.

Bulk Inquiry

Related CAS #

828271-96-1 (HCl) 220847-86-9 (free base)

Synonym

R-411; RO-0272441; RO-27-2441; R411; RO0272441; RO27244; R 411; RO 0272441; RO 27 2441

IUPAC/Chemical Name

2-(diethylamino)ethyl (S)-2-(2-chloro-6-methylbenzamido)-3-(4-(2,6-dichlorobenzamido)phenyl)propanoate hydrochloride

InChi Key

CNNHYZRRGXZIIA-UQIIZPHYSA-N

InChi Code

InChI=1S/C30H32Cl3N3O4.ClH/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33;/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37);1H/t25-;/m0./s1

SMILES Code

O=C(OCCN(CC)CC)[C@H](CC1=CC=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=C1)NC(C3=C(C)C=CC=C3Cl)=O.[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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 641.41 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.

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: Halland N, Blum H, Buning C, Kohlmann M, Lindenschmidt A. Small Macrocycles As Highly Active Integrin α2β1 Antagonists. ACS Med Chem Lett. 2014 Jan 10;5(2):193-8. doi: 10.1021/ml4004556. PubMed PMID: 24900800; PubMed Central PMCID: PMC4027761. 2: Woodside DG, Vanderslice P. Cell adhesion antagonists: therapeutic potential in asthma and chronic obstructive pulmonary disease. BioDrugs. 2008;22(2):85-100. Review. PubMed PMID: 18345706.