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Chemical structure of Valategrast

GC63490

Valategrast

Also known as 2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate

Valategrast (R-411 free base) is a potent and orally active integrin α4β1 (VLA-4) and α4β7 dual antagonist

ChemicalCAS220847-86-9MW604.95FormulaC30H32Cl3N3O4
CAS number
220847-86-9
Molecular weight
604.95
Formula
C30H32Cl3N3O4
Solubility
DMSO ： 170 mg/mL (281·01 mM; Need ultrasonic)
InChIKey
VZVNFRFMDNFPOM-VWLOTQADSA-N
Catalogue number
GC63490
Brand
GLPBIO
Computed properties PubChem CID 11563636 · XLogP 7 · TPSA 87.7 Ų · H-bond donors 2
XLogP
7
TPSA
87.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
40

SMILES CCN(CC)CCOC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C

Computed descriptors from PubChem (CID 11563636), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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