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Chemical structure of S-5751

GC44863

S-5751

Also known as (Z)-7-[(1R,2R,3S,5S)-2-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

S-5751 is an antagonist of the prostaglandin D2 (PGD2) receptor DP1 (Ki = 1·6 nM) that shows at least 20-fold selectivity over receptors for thromboxane and prostacyclin, as well as the PGE2 receptor EP2

ChemicalCAS209268-36-0MW441.6FormulaC25H31NO4S
CAS number
209268-36-0
Molecular weight
441.6
Formula
C25H31NO4S
Solubility
DMSO： 36 mg/ml
InChIKey
ZXBHFWFKSIYJEK-MFJOXFORSA-N
Catalogue number
GC44863
Brand
GLPBIO
Computed properties PubChem CID 9867949 · XLogP 5.2 · TPSA 115 Ų · H-bond donors 3
XLogP
5.2
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

SMILES CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)C/C=C\CCCC(=O)O)C

Computed descriptors from PubChem (CID 9867949), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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