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DPM-1003

CAT: 0013-GTR19250144-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250144-02Size:10 mg
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Description
DPM-1003 is a novel allosteric inhibitor of PTP1B that binds its disordered C-terminal segment. This small molecule has demonstrated efficacy in reducing pulmonary inflammation in mouse models, supporting its use in research on metabolic and inflammatory diseases.
CAS Number
3018836-86-4
Field of Research
Metabolism Research
Smiles
O[C@H]1[C@@]2 ([C@@] ([C@]3 (C) [C@@] (C1) (CC (NCCCCNCC=4C=CC=NC4) CC3) [H]) (CC[C@@]5 (C) [C@]2 (CC[C@@]5 ([C@@H] (CCC (OC) =O) C) [H]) [H]) [H]) [H]
Molecular Formula
C35H57N3O3
Molecular Weight
567.845
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 172677321
CAS Number3018836-86-4
PubChem CID172677321
IUPAC Namemethyl (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-3-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC35H57N3O3
Molecular Weight567.8
XLogP6.2
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count41
Formal Charge0
Complexity855
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(CCC(C4)NCCCCNCC5=CN=CC=C5)C)O)C
InChI
InChI=1S/C35H57N3O3/c1-24(9-12-32(40)41-4)28-10-11-29-33-30(14-16-35(28,29)3)34(2)15-13-27(20-26(34)21-31(33)39)38-19-6-5-17-36-22-25-8-7-18-37-23-25/h7-8,18,23-24,26-31,33,36,38-39H,5-6,9-17,19-22H2,1-4H3/t24-,26-,27?,28-,29+,30+,31-,33+,34+,35-/m1/s1
InChIKey
DSEPFENKRHJFCG-DSAGSSSKSA-N
Chemical Structure
2D Structure
2D structure of CID 172677321
CAS: 3018836-86-4
CID: 172677321
Formula: C35H57N3O3
MW: 567.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.8
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass567.43999269
Monoisotopic Mass567.43999269
Topological Polar Surface Area83.5 Ų
Heavy Atom Count41
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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