BMS-1001 hydrochloride - Moligand™,≥99% , CAS No.2113650-04-5

CAS: 2113650-04-5 Cat. No.: B651436 Molecular Weight: 631.12

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

BMS-1001 hydrochloride is an active inhibitor of human PD-1/PD-L1 immune checkpoint with low-toxicity in cells.BMS-1001 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes. BMS-1001 is capable of alleviating the PD-1/PD-L1 immune checkpoint-mediated exhaustion of Jurkat T-lymphocytes.

Specifications

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

BMS-1001 hydrochloride is an active human PD-L1/PD-1 immune checkpoint inhibitor. BMS-1001 hydrochloride exhibits low-toxicity in cells

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CNC(CO)C(=O)O.Cl
• IUPAC Name: (2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methylamino]-3-hydroxypropanoic acid;hydrochloride
• InChIKey: VKDUZONDVBDCAX-VNUFCWELSA-N
• INCHI: 1S/C35H34N2O7.ClH/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31;/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40);1H/t30-;/m1./s1
• Alternate CAS: 2113650-03-4
• Molecular Weight: 631.12

Chemical and Physical Properties

• Solubility: DMSO : 12.5 mg/mL (19.81 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive
• Molecular Weight: 631.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 630.213 Da
• Monoisotopic Mass: 630.213 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 957.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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