BMS-1

CAT: 0957-S7911-04Size: 1 gDry Ice: YesHazardous: No

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CAT#:0957-S7911-04Size:1 g

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Description

BMS-1 is a small-molecule inhibitor of PD-1/PD-L1 interaction with IC50 of 6 nM.

CAS Number

1675201-83-8

Synonyms

PD-1/PD-L1 inhibitor 1

Target

PD-1/PD-L1

Activity

Apoptosis

Molecular Formula

C29H33NO5

Storage Conditions

2 years -80 in solvent

Chemical Information

Bms-1

CAS Number	1675201-83-8
PubChem CID	91663303
IUPAC Name	(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
Molecular Formula	C29H33NO5
Molecular Weight	475.6
XLogP	3.4
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	639

SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCC[C@H]4C(=O)O)OC

InChI

InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1

InChIKey

ZBOYJODMIAUJHH-SANMLTNESA-N

Chemical Structure

2D Structure

CAS: 1675201-83-8

CID: 91663303

Formula: C29H33NO5

MW: 475.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	475.6
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	475.23587315
Monoisotopic Mass	475.23587315
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	639
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C18065	BMS-1
HY-19991A	(Rac) -BMS-1
MBS386661-01	BMS-806 (BMS 378806)
A11201-2	BMS-806 (BMS 378806) 2mg
A11201-1	BMS-806 (BMS 378806) 1mg
A11201-25	BMS-806 (BMS 378806) 25mg
A11201-500	BMS-806 (BMS 378806) 500mg
BA1866-5	BMS-986094
BA9174-50	BMS-564929
BA5455-5	BMS-986278

BMS-1

Chemical Information

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