RBN-2397

CAT: 0607-BA4358-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4358-5Size:5 mg

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CAS Number

2381037-82-5

Form

A solid

Molecular Formula

C20H23F6N7O3

Molecular Weight

523.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Atamparib

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

CAS Number	2381037-82-5
PubChem CID	146047148
IUPAC Name	4-[[(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 Formula	C20H23F6N7O3
Molecular Weight	523.4
XLogP	1.2
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	848

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

CAS: 2381037-82-5

CID: 146047148

Formula: C20H23F6N7O3

MW: 523.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.4
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	523.17665659
Monoisotopic Mass	523.17665659
Topological Polar Surface Area	112 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	848
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T12695-01	RBN-2397
C13844-100mg	Atamparib (RBN-2397)
A22220-100	Atamparib (RBN-2397) 100mg
A22220-50	Atamparib (RBN-2397) 50mg
A22220-25	Atamparib (RBN-2397) 25mg
A22220-5	Atamparib (RBN-2397) 5mg
A22220-1	Atamparib (RBN-2397) 1mg
A22220-10	Atamparib (RBN-2397) 10mg
A22220-10mM-D	Atamparib (RBN-2397) 10mM * 1mL in DMSO

RBN-2397

Chemical Information

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