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Chemical structure of DPM-1001

GC38445

DPM-1001

Also known as methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

DPM-1001 is a potent, specific, orally active and non-competitive inhibitor of protein-tyrosine phosphatase (PTP1B) with an IC50 of 100 nM

ChemicalCAS1471172-27-6MW567.85FormulaC35H57N3O3
CAS number
1471172-27-6
Molecular weight
567.85
Formula
C35H57N3O3
Solubility
DMSO ： 100 mg/mL (176·10 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RVANDQULNPITCN-MCVYBXALSA-N
Catalogue number
GC38445
Brand
GLPBIO
Computed properties PubChem CID 139291002 · XLogP 6.2 · TPSA 83.5 Ų · H-bond donors 3
XLogP
6.2
TPSA
83.5 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
41

SMILES C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)NCCCCNCC5=CC=CC=N5)C)O)C

Computed descriptors from PubChem (CID 139291002), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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