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Chemical structure of SHIP 2a

GC50336

SHIP 2a

Also known as (4R)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide

SHIP 2a is a selective cystathionine γ-lyase (CSE) enzyme inhibitor with an IC50 of 6·3 μM

ChemicalCAS2165706-30-7MW184.22FormulaC7H8N2O2S
CAS number
2165706-30-7
Molecular weight
184.22
Formula
C7H8N2O2S
Solubility
DMSO ： 18 mg/mL (97·71 mM; Need ultrasonic and warming); Ethanol ： 9 mg/mL (48·85 mM; Need ultrasonic and warming)
InChIKey
MWEQVHWJNCRXGP-YFKPBYRVSA-N
Catalogue number
GC50336
Brand
GLPBIO
Computed properties PubChem CID 124221753 · XLogP -0.2 · TPSA 83.5 Ų · H-bond donors 2
XLogP
-0.2
TPSA
83.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

SMILES C#CCNC(=O)[C@@H]1CSC(=O)N1

Computed descriptors from PubChem (CID 124221753), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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