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NLCQ-1 HCl

CAT: 0931-T33699-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33699-01Size:25 mg
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CAS Number
221292-08-6
Target
Others
Related Pathways
Others
Bioactivity
NLCQ-1 is a novel weak DNA-intercalative bioreductive compound. NLCQ-1 exhibited a C50 of 44 microM. NLCQ-1 demonstrated significant hypoxic selectivity in several rodent (V79, EMT6, SCCVII) or human (A549, OVCAR-3) tumor cell lines. Its potency as a hypoxic cytotoxin ranged between 10 and 136 microM x h, for the cell lines tested, at 30 microM input concentration. NLCQ-1 was a very potent and efficient radiosensitizer of hypoxic V79 cells, providing SER values of 2.27-2.56 at 20-80 microM concentration (measured at 10% survival level) . Preclinical results suggest a possible use of NLCQ-1 as adjuvants to radiotherapy.
Smiles
Cl.O=N(=O)C1=NC=CN1CCCNC=2C=CN=C3C=C(Cl)C=CC32
Molecular Formula
C15H15Cl2N5O2
Molecular Weight
368.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(3-(2-Nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride

structure in first source

CAS Number221292-08-6
PubChem CID398939
IUPAC Name7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine;hydrochloride
Molecular FormulaC15H15Cl2N5O2
Molecular Weight368.2
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)NCCCN3C=CN=C3[N+](=O)[O-].Cl
InChI
InChI=1S/C15H14ClN5O2.ClH/c16-11-2-3-12-13(4-6-18-14(12)10-11)17-5-1-8-20-9-7-19-15(20)21(22)23;/h2-4,6-7,9-10H,1,5,8H2,(H,17,18);1H
InChIKey
LWTUZIMLIKOKDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-(2-Nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride
CAS: 221292-08-6
CID: 398939
Formula: C15H15Cl2N5O2
MW: 368.2
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight368.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass367.0602801
Monoisotopic Mass367.0602801
Topological Polar Surface Area88.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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