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Chemical structure of ZM 522

GC90683

ZM 522

Also known as (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-fluorobenzoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

An inhibitor of ecto-5’-nucleotidase

ChemicalCAS1454575-38-2MW578.8FormulaC37H51FO4
CAS number
1454575-38-2
Molecular weight
578.8
Formula
C37H51FO4
Solubility
DMF： 10 mg/ml,DMSO： 2 mg/ml,Ethanol： 2 mg/ml
InChIKey
YVDDYENCDWEHSB-DWKDZXJCSA-N
Catalogue number
GC90683
Brand
GLPBIO
Computed properties PubChem CID 171042912 · XLogP 10.5 · TPSA 63.6 Ų · H-bond donors 1
XLogP
10.5
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
42

SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=C(C=C6)F)C)C(=O)O

Computed descriptors from PubChem (CID 171042912), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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