PK 130

CAT: 0013-GTR19193086-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193086-02Size:50 mg

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Description

PK 130 is a chemical radiosensitizer designed to target hypoxic cells, formed by conjugating L-phenylalanine methyl ester to a 2-nitroimidazole moiety. It is used in research to study radiation therapy enhancement in both in vitro and in vivo experimental models of solid tumors.

CAS Number

140448-29-9

Smiles

N (=O) (=O) C=1N (CC (N[C@@H] (CC2=CC=CC=C2) C (OC) =O) =O) C=CN1

Molecular Formula

C15H16N4O5

Molecular Weight

332.31

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

PK 130

structure given in first source

CAS Number	140448-29-9
PubChem CID	126578
IUPAC Name	methyl (2S)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate
Molecular Formula	C15H16N4O5
Molecular Weight	332.31
XLogP	1.3
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	461

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-24-14(21)12(9-11-5-3-2-4-6-11)17-13(20)10-18-8-7-16-15(18)19(22)23/h2-8,12H,9-10H2,1H3,(H,17,20)/t12-/m0/s1

InChIKey

VQNUUFHSMPUSHU-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 140448-29-9

CID: 126578

Formula: C15H16N4O5

MW: 332.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	332.31
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	332.11206962
Monoisotopic Mass	332.11206962
Topological Polar Surface Area	119 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	461
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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PK 130

Chemical Information

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