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Prothracarcin

CAT: 0013-GTR19266009-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266009-02Size:50 mg
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Description
Prothracarcin is an antibiotic with antitumor properties, exerting its cytotoxic effects on tumor cells by covalently bonding to the C-2 amino group of guanine residues in the DNA minor groove. Prothracarcin also exhibits antibacterial activity against certain Gram-positive bacteria and some Gram-negative bacteria, such as Escherichia coli (E. coli) .
CAS Number
81542-99-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1N2[C@@] (C/C (=C\C) /C2) (C=NC=3C1=CC=CC3) [H]
Molecular Formula
C14H14N2O
Molecular Weight
226.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prothracarcin

Prothracarcin is a benzodiazepine.

CAS Number81542-99-6
PubChem CID21681124
IUPAC Name(6aS,8E)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular FormulaC14H14N2O
Molecular Weight226.27
XLogP1.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity386
SMILES
C/C=C/1\C[C@H]2C=NC3=CC=CC=C3C(=O)N2C1
InChI
InChI=1S/C14H14N2O/c1-2-10-7-11-8-15-13-6-4-3-5-12(13)14(17)16(11)9-10/h2-6,8,11H,7,9H2,1H3/b10-2+/t11-/m0/s1
InChIKey
GYUDGZRJHSDPLH-KJQCOJPZSA-N
Chemical Structure
2D Structure
2D structure of Prothracarcin
CAS: 81542-99-6
CID: 21681124
Formula: C14H14N2O
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass226.110613074
Monoisotopic Mass226.110613074
Topological Polar Surface Area32.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-129252Prothracarcin

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