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1402-38-6

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Basic Information
CAS No.: 1402-38-6
Name: actinomycin
Molecular Structure:
Molecular Structure of 1402-38-6 (actinomycin)
Formula: C62H86N12O16
Molecular Weight: 0
Synonyms: Actinomycin;
Safety: Poison by ingestion, intraperitoneal, subcutaneous and intravenous routes. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported.
PSA: 373.94000
LogP: 2.63560
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Chemistry


IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide 
Molecular Weight: 1255.41704 g/mol
Molecular Formula: C62H86N12O16
XLogP3-AA: 3.8
H-Bond Donor: 5
H-Bond Acceptor: 18
Rotatable Bond Count: 8
Tautomer Count: 64
Exact Mass: 1254.628475
MonoIsotopic Mass: 1254.628475
Topological Polar Surface Area: 356
Heavy Atom Count: 90
Complexity: 3030
Defined Atom StereoCenter Count: 4
Undefined Atom StereoCenter Count: 6
Canonical SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)
C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
Isomeric SMILES: CC1C(C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C
(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChIKey: RJURFGZVJUQBHK-QHYAFWOASA-N

History

The Actinomycin (CAS NO.1402-38-6) are a class of polypeptide antibiotics isolated from soil bacteria of the genus Streptomyces, of which the most significant is Actinomycin D. It was the first antibiotic isolated by Selman Waksman and his co-worker H. B. Woodruff in 1940.

Uses

 Actinomycin D and its fluorescent derivative, 7-aminoactinomycin D (7-AAD), are used as stains in microscopy and flow cytometry applications. The affinity of these stains compounds for GC-rich regions of DNA strands makes them excellent markers for DNA. 7-AAD binds to single stranded DNA; therefore it is a useful tool in determining apoptosis and distinguishing between dead cells and live ones

Toxicity Data With Reference

1.    

oms-omi 1250 µg/L

     SOGEBZ    Soviet Genetics. 4 (1968),100.
2.    

cyt-hmn:lym 200 µg/L/2H

     CCPHDZ    Cancer Chemotherapy and Pharmacology. 3 (1979),143.
3.    

orl-rat LDLo:1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
4.    

ipr-rat LDLo:1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
5.    

scu-rat LDLo:1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
6.    

ivn-rat LDLo:1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
7.    

orl-mus LDLo:10 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
8.    

ipr-mus LDLo:1 mg/kg

     TDKNAF    Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. 14 (1955),60.
9.    

scu-mus LDLo:250 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 74 (1942),25.
10.    

ivn-mus LDLo:250 µg/kg

     JPETAB    Journal of Pharmacology an

Safety Profile

Poison by ingestion, intraperitoneal, subcutaneous and intravenous routes. An experimental teratogen. Other experimental reproductive effects. Human mutation data reported.

Specification

 Actinomycin (CAS NO.1402-38-6) is high toxic. It is flammable. So the storage environment of Actinomycin (CAS NO.1402-38-6) should be ventilate, low-temperature and dry.