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76849-19-9

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Basic Information
CAS No.: 76849-19-9
Name: N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]benzoyl]-L-glutamic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 76849-19-9 (N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]benzoyl]-L-glutamic acid)
Formula: C24H23N5O6
Molecular Weight: 477.477
Density: 1.41g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
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  • 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid

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    2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid

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    N cas 76849-19-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Product Name: CB 3717 (CAS NO.76849-19-9)


Molecular Formula: C24H23N5O6
Molecular Weight: 477.52g/mol
Mol File: 76849-19-9.mol
Density: 1.41 g/cm3
Surface Tension: 61.1 dyne/cm
XLogP3-AA: 0.6
H-Bond Donor: 5
H-Bond Acceptor: 9
Structure Descriptors of CB 3717 (CAS NO.76849-19-9):
  IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  Canonical SMILES: C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
  InChI: InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33) 
  InChIKey: LTKHPMDRMUCUEB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dnd-hmn-oth 30 µmol/L

     CNREA8    Cancer Research. 51 (1991),2346.
2.    

dnd-mus-fbr 200 µmol/L

     CNREA8    Cancer Research. 48 (1988),2036.
3.    

ipr-mus LD :>160 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4564616 .

Safety Profile

A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 CB 3717 ,its CAS NO. is 76849-19-9,the synonyms is N(sup 10)-Propargyl-5,8-dideazafolic acid ; N-(4-(((N-(2-Amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynilamino)benzoyl))-L-glutamic acid ; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)- .