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TP-271

CAT: 0013-GTR19196297-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196297-01Size:25 mg
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Description
TP-271
CAS Number
1207284-17-0
Field of Research
Infectious Disease & Virology
Smiles
O[C@]12[C@] ([C@H] (N (C) C) C (O) =C (C (N) =O) C1=O) (C[C@]3 (C (=C2O) C (=O) C=4C (C3) =C (F) C=C (NC (=O) [C@H]5N (C) CCC5) C4O) [H]) [H]
Molecular Formula
C27H31FN4O8
Molecular Weight
558.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-N-((5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide

TP-271 is under investigation in clinical trial NCT02724085 (A Phase 1 Study to Assess the Safety, Tolerability and PK of IV TP-271).

CAS Number1207284-17-0
PubChem CID54726193
IUPAC Name(2S)-N-[(5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide
Molecular FormulaC27H31FN4O8
Molecular Weight558.6
XLogP1.1
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity1220
SMILES
CN1CCC[C@H]1C(=O)NC2=CC(=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(=C([C@]5(C(=O)C4=C(C3=C2O)O)O)O)C(=O)N)N(C)C)F
InChI
InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1
InChIKey
VIWUYPVRNWIKLS-HMFHYXQTSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-((5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide
CAS: 1207284-17-0
CID: 54726193
Formula: C27H31FN4O8
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass558.21259212
Monoisotopic Mass558.21259212
Topological Polar Surface Area194 Ų
Heavy Atom Count40
Formal Charge0
Complexity1220
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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