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TP-030-2

CAT: 0013-GTR19212163-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212163-01Size:25 mg
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Description
TP-030-2 is a potent and selective inhibitor of RIPK1, demonstrating high affinity with a Ki of 0.43 nM in human systems and an IC50 of 100 nM in mouse models. This small molecule is a valuable research tool for studying necroptosis and inflammation in both cellular assays and in vivo experimental contexts.
CAS Number
2095514-84-2
Field of Research
Cell Biology, Protein Biochemistry, Signal Transduction
Smiles
O=C1C=2C (=C (Br) N (CC3=CC=CC=C3) N2) CCN1[C@@H]4C (=O) N (C) C=5C (OC4) =CC=CC5
Molecular Formula
C23H21BrN4O3
Molecular Weight
481.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 135309104
CAS Number2095514-84-2
PubChem CID135309104
IUPAC Name(3S)-3-(2-benzyl-3-bromo-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
Molecular FormulaC23H21BrN4O3
Molecular Weight481.3
XLogP3.5
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity688
SMILES
CN1C2=CC=CC=C2OC[C@@H](C1=O)N3CCC4=C(N(N=C4C3=O)CC5=CC=CC=C5)Br
InChI
InChI=1S/C23H21BrN4O3/c1-26-17-9-5-6-10-19(17)31-14-18(22(26)29)27-12-11-16-20(23(27)30)25-28(21(16)24)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKey
KHVVJKLNKLQLJZ-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of CID 135309104
CAS: 2095514-84-2
CID: 135309104
Formula: C23H21BrN4O3
MW: 481.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass480.07970
Monoisotopic Mass480.07970
Topological Polar Surface Area67.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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