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BMS-187745

CAT: 0013-GTR19210501-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210501-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-187745 is a potent and selective inhibitor of squalene synthase, a key enzyme in the cholesterol biosynthesis pathway. This compound is a valuable research tool for investigating lipid metabolism and has been utilized in both in vitro enzymatic assays and in vivo studies exploring hypercholesterolemia.
CAS Number
157126-18-6
Smiles
O (C1=CC (CCC[C@@H] (P (=O) (O) O) S (=O) (=O) O) =CC=C1) C2=CC=CC=C2
Molecular Formula
C16H19O7PS
Molecular Weight
386.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
CAS Number157126-18-6
PubChem CID153978
IUPAC Name(1S)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
Molecular FormulaC16H19O7PS
Molecular Weight386.4
XLogP1.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity547
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC[C@@H](P(=O)(O)O)S(=O)(=O)O
InChI
InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m0/s1
InChIKey
RCGCZPXSRLLKCK-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
CAS: 157126-18-6
CID: 153978
Formula: C16H19O7PS
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass386.05891111
Monoisotopic Mass386.05891111
Topological Polar Surface Area130 Ų
Heavy Atom Count25
Formal Charge0
Complexity547
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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