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BX 667

CAT: 0931-T26932-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26932-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
937395-08-9
Target
P2Y Receptor, Others
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
BX 667 is a P2Y12 receptor antagonist. BX 667 blocks ADP-induced platelet aggregation in human, dog and rat blood with IC50 value of 97, 317 and 3000 nM respectively.
Smiles
O(C(C(OCC)=O)(C)C)C=1C2=C(N=C(C(N[C@H](C(=O)N3CCN(C(OCC)=O)CC3)CCC(O)=O)=O)C1)C=C(C)C=C2
Molecular Formula
C29H38N4O9
Molecular Weight
586.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BX 667
CAS Number937395-08-9
PubChem CID16681707
IUPAC Name(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid
Molecular FormulaC29H38N4O9
Molecular Weight586.6
XLogP2.5
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity982
SMILES
CCOC(=O)C(C)(C)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC
InChI
InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1
InChIKey
PHDMSNZRDFPYNQ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of BX 667
CAS: 937395-08-9
CID: 16681707
Formula: C29H38N4O9
MW: 586.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass586.26387880
Monoisotopic Mass586.26387880
Topological Polar Surface Area165 Ų
Heavy Atom Count42
Formal Charge0
Complexity982
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

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