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Nedisertib

CAT: 1410-M12468-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12468-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nedisertib (M3814, MSC2490484A) is a highly potent, selective, orally bioavailable inhibitor of DNA-PK.
CAS Number
1637542-33-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
481.912
Molecular Formula
C24H21ClFN5O3
Notes
Research use only, not for human use.
Receptor
DNA-PK

Chemical Information

Peposertib

Nedisertib is under investigation in clinical trial NCT03770689 (Study of M3814 in Combination With Capecitabine and Radiotherapy in Rectal Cancer).

CAS Number1637542-33-6
PubChem CID86292849
IUPAC Name(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.9
XLogP2.8
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity662
SMILES
COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O
InChI
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
InChIKey
MOWXJLUYGFNTAL-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Peposertib
CAS: 1637542-33-6
CID: 86292849
Formula: C24H21ClFN5O3
MW: 481.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.9
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass481.1316954
Monoisotopic Mass481.1316954
Topological Polar Surface Area93.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity662
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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HY-101570GNedisertib (GMP)
A17055-5Nedisertib 5mg
HY-101570RNedisertib (Standard)

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