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Atamparib (RBN-2397)

CAT: 0957-S8993-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8993-01Size:5 mg
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Description
Atamparib (RBN-2397) is a potent, selective and orally active NAD+ competitive inhibitor PARP7 with IC50 of <3 nM and Kd of <0.001 μM. RBN-2397 has the potential for the research of tumor treatment.
CAS Number
2381037-82-5
Target
PARP
Activity
DNA Damage/DNA Repair
Molecular Formula
C20H23F6N7O3
Storage Conditions
3 years -20°C powder

Chemical Information

Atamparib

Atamparib is under investigation in clinical trial NCT05127590 (RBN-2397 in Combination With Pembrolizumab in Patients With SCCL).

CAS Number2381037-82-5
PubChem CID146047148
IUPAC Name4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
Molecular FormulaC20H23F6N7O3
Molecular Weight523.4
XLogP1.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity848
SMILES
C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F
InChI
InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
InChIKey
UQZCQKXJAXKZQH-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Atamparib
CAS: 2381037-82-5
CID: 146047148
Formula: C20H23F6N7O3
MW: 523.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass523.17665659
Monoisotopic Mass523.17665659
Topological Polar Surface Area112 Ų
Heavy Atom Count36
Formal Charge0
Complexity848
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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Alternative Products

CatalogName
C13844-100mgAtamparib (RBN-2397)
A22220-100Atamparib (RBN-2397) 100mg
A22220-50Atamparib (RBN-2397) 50mg
A22220-25Atamparib (RBN-2397) 25mg
A22220-5Atamparib (RBN-2397) 5mg
A22220-1Atamparib (RBN-2397) 1mg
A22220-10Atamparib (RBN-2397) 10mg
A22220-10mM-DAtamparib (RBN-2397) 10mM * 1mL in DMSO
BA4358-1RBN-2397

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