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DS-5272

CAT: 0013-GTR19200340-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200340-02Size:50 mg
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Description
DS-5272 is a potent, orally bioavailable small molecule that disrupts the p53-MDM2 protein-protein interaction. This inhibitor is utilized in cancer research to study p53-dependent pathways and has demonstrated activity in both cellular assays and in vivo tumor models.
CAS Number
1235575-97-9
Field of Research
Cell Biology
Smiles
C (C) (C) C=1N2[C@@H] ([C@@] (C) (N=C2SC1C (=O) N3[C@H] (C (=O) N4CC5 (CC5) NC[C@H]4CC) C[C@@H] (F) C3) C=6C=CC (Cl) =NC6) C7=CC (F) =C (Cl) C=C7
Molecular Formula
C34H38Cl2F2N6O2S
Molecular Weight
703.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-ethyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CAS Number1235575-97-9
PubChem CID46840822
IUPAC Name[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-ethyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
Molecular FormulaC34H38Cl2F2N6O2S
Molecular Weight703.7
XLogP5.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity1330
SMILES
CC[C@@H]1CNC2(CC2)CN1C(=O)[C@@H]3C[C@H](CN3C(=O)C4=C(N5[C@@H]([C@](N=C5S4)(C)C6=CN=C(C=C6)Cl)C7=CC(=C(C=C7)Cl)F)C(C)C)F
InChI
InChI=1S/C34H38Cl2F2N6O2S/c1-5-22-15-40-34(10-11-34)17-43(22)30(45)25-13-21(37)16-42(25)31(46)28-27(18(2)3)44-29(19-6-8-23(35)24(38)12-19)33(4,41-32(44)47-28)20-7-9-26(36)39-14-20/h6-9,12,14,18,21-22,25,29,40H,5,10-11,13,15-17H2,1-4H3/t21-,22-,25+,29-,33+/m1/s1
InChIKey
QUYOIFDRHGZSFZ-YABFKZQLSA-N
Chemical Structure
2D Structure
2D structure of [(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-ethyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CAS: 1235575-97-9
CID: 46840822
Formula: C34H38Cl2F2N6O2S
MW: 703.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.7
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass702.2122074
Monoisotopic Mass702.2122074
Topological Polar Surface Area106 Ų
Heavy Atom Count47
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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