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Canfosfamide , DNA disrupting agent, CAS No.5312109, DNA disrupting agent

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Canfosfamide , DNA disrupting agent, CAS No.5312109, DNA disrupting agent

COA

Molecular Weight: 787.5
PubChem CID: 5312109

In stock

Item Number

C671003

Grouped product items
SKU	Size	Availability	Price	Qty
C671003-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	Canfosfamide \| Q27095567 \| SCHEMBL4914495 \| N-(3-((2-((Bis(bis(2-chloroethyl)amino)phosphinyl)oxy)ethyl)sulfonyl)-N-glutamyl-alanyl)-2-phenyl-glycine \| CANFOSFAMIDE [MI] \| GLYCINE, L-.GAMMA.-GLUTAMYL-3-((2-((BIS(BIS(2-CHLOROETHYL)AMINO)PHOSPHINYL)OXY)ETHY
Action Type	DISRUPTING AGENT
Mechanism of action	DNA disrupting agent

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Oligopeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Oligopeptides
Alternative Parents	Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides L-alpha-amino acids Nitrogen mustard compounds Phosphoric monoester diamides Phosphate esters Benzene and substituted derivatives N-acyl amines Dicarboxylic acids and derivatives Sulfones Secondary carboxylic acid amides Amino acids Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Nitrogen mustard - Phosphoric monoester diamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Organic phosphoric acid amide - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Carboxylic acid - Organochloride - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	-1.7

Associated Targets(non-human)

B16 (5829 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2S)-2-amino-5-[[(2R)-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]-1-[[(R)-carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
INCHI	InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1
InChIKey	OJLHWPALWODJPQ-QNWVGRARSA-N
Smiles	C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)NC(=O)CCC(C(=O)O)N
Isomeric SMILES	C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)[C@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)NC(=O)CC[C@@H](C(=O)O)N
Molecular Weight	787.5
Reaxy-Rn	8181407
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8181407&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	787.500 g/mol
XLogP3	-1.700
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	25
Exact Mass	787.096 Da
Monoisotopic Mass	785.099 Da
Topological Polar Surface Area	234.000 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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