Products for Research Use Only
RegisterLogin

BMS-1001

CAT: 0013-GTR19166179-05Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19166179-05Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-1001 is a high-affinity small molecule inhibitor that potently blocks the PD-1/PD-L1 immune checkpoint interaction, demonstrating an IC50 of 2.25 nM. This inhibitor is a valuable tool for investigating cancer immunotherapy mechanisms in both biochemical and cellular assays, supporting research in oncology and immunology.
CAS Number
2113650-03-4
Product Name Alternative
BMS1001, BMS-1001, BMS 1001, PD-1/PD-L1, PD1/PDL1, PD1, PD-1, PD-L1, PDL1
Field of Research
Cell Biology, Immunology & Inflammation
Purity
98.43% (May vary between batches)
Solubility
DMSO:5.95 mg/mL (10.01 mM)
Smiles
CC1=CC (CN[C@H] (CO) C (O) =O) =C (OCC2=CC (=CC=C2) C#N) C=C1OCC1=C (C) C (=CC=C1) C1=CC2=C (OCCO2) C=C1
Molecular Formula
C35H34N2O7
Molecular Weight
594.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid
CAS Number2113650-03-4
PubChem CID131839624
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
Molecular FormulaC35H34N2O7
Molecular Weight594.7
XLogP2.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity957
SMILES
CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CN[C@H](CO)C(=O)O
InChI
InChI=1S/C35H34N2O7/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)/t30-/m1/s1
InChIKey
UWNXGZKSIKQKAH-SSEXGKCCSA-N
Chemical Structure
2D Structure
2D structure of (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid
CAS: 2113650-03-4
CID: 131839624
Formula: C35H34N2O7
MW: 594.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.7
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass594.23660143
Monoisotopic Mass594.23660143
Topological Polar Surface Area130 Ų
Heavy Atom Count44
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19208404-01AT-1001
GTR19168590-01SR-1001
GTR19209881-01ATM-1001
GTR19203908-01BMS-688521
GTR19203907BMS-690514
GTR19203898-01BMS-986163
GTR19236195-01BMS-986397
GTR19231993-01BMS-986365
GTR19171953-01BMS-345541
GTR19168075-01BMS-911543

Alternative Products

CatalogName
HY-120647BMS-1001
NJD65004-01BMS-1001 hydrochloride
A22061-10BMS-1001 10mg
A22061-25BMS-1001 25mg
HY-120635-01BMS-1001 (hydrochloride)
A22061-50BMS-1001 50mg
562219BMS-1001 HCl
A22061-200BMS-1001 200mg
A22061-100BMS-1001 100mg
A22061-5BMS-1001 5mg

Popular Products