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| Name |
Echinomycin |
EINECS | 201-958-4 |
| CAS No. | 512-64-1 | Density | 1.41 g/cm3 |
| PSA | 352.40000 | LogP | 1.82630 |
| Solubility | N/A | Melting Point |
217-218℃ |
| Formula | C51H64 N12 O12 S2 | Boiling Point | 1427.2 ºC at 760 mmHg |
| Molecular Weight | 1101.27 | Flash Point | 817 ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | A deadly poison by intraperitoneal, intravenous, and subcutaneous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. | Risk Codes | 46-23/24/25 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
Echinomycin(8CI);9,22-Dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane,cyclic peptide deriv.;Antibiotic A 654I;NSC 13502;NSC 526417;SK 302B;Stereoisomer ofN,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl]bis[2-quinoxalinecarboxamide]; |
Echinomycin Chemical Properties
Molecule structure of Echinomycin (CAS NO.512-64-1) :
IUPAC Name: N-[3,11,13,16,24,26-hexamethyl-27-methylsulfanyl-2,5,9,12,15,18,22,25-octaoxo-4,17-di(propan-2-yl)-8-(quinoxaline-2-carbonylamino)-6,19-dioxa-28-thia-3,10,13,16,23,26-hexazabicyclo[12.12.3]nonacosan-21-yl]quinoxaline-2-carboxamide
Molecular Weight: 1101.25706 g/mol
Molecular Formula: C51H64N12O12S2
Density: 1.41 g/cm3
Boiling Point: 1427.2 °C at 760 mmHg
Flash Point: 817 °C
Index of Refraction: 1.654
Molar Refractivity: 286.32 cm3
Molar Volume: 780.3 cm3
Polarizability: 113.5*10-24 cm3
Surface Tension: 76.2 dyne/cm
Enthalpy of Vaporization: 219.04 kJ/mol
XLogP3-AA: 2.7
H-Bond Donor: 4
H-Bond Acceptor: 16
Rotatable Bond Count: 7
Tautomer Count: 16
Exact Mass: 1100.420807
MonoIsotopic Mass: 1100.420807
Topological Polar Surface Area: 302
Heavy Atom Count: 77
Complexity: 2200
InChI: InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
InChIKey: AUJXLBOHYWTPFV-UHFFFAOYSA-N
Storage Temp.: 2-8 °C
Merck: 13.3531
Product Categories of Echinomycin (CAS NO.512-64-1) : Antitumour
Echinomycin Uses
Echinomycin is a peptide antibiotic. It intercalates into DNA at two specific sites, thereby blocking the binding of hypoxia inducible factor 1 alpha (HIF1alpha).
Echinomycin Toxicity Data With Reference
| 1. | pic-esc 600 ng/plate | CNREA8 Cancer Research. 43 (1983),2819. | ||
| 2. | dnd-mam:lym 400 nmol/L | NATUAS Nature. 252 (1974),653. | ||
| 3. | dni-mam:lym 27 µmol/L | HXPHAU Handbuch der Experimentellen Pharmakologie. 38 (Pt 2),(1975),623. | ||
| 4. | ipr-mus LD50:280 µg/kg | JANTAJ Journal of Antibiotics. 31 (1968),465. | ||
| 5. | scu-mus LD50:3800 µg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 1 (1978),311. | ||
| 6. | ivn-mus LD50:629 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB83-114298 . | ||
| 7. | ivn-dog LDLo:89 µg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB82-114298 . |
Echinomycin Safety Profile
A deadly poison by intraperitoneal, intravenous, and subcutaneous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Hazard Codes: 
T
Risk Statements: 46-23/24/25
R46: May cause heritable genetic damage
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 53-36/37/39-45
S53: Avoid exposure - obtain special instructions before use
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 3462 6.1/PG 2
WGK Germany: 3
RTECS: JW5250000
F: 10
HazardClass: 6.1(b)
PackingGroup: III
Echinomycin Specification
Echinomycin (CAS NO.512-64-1) is also called 4-27-00-09726 (Beilstein Handbook Reference) ; BRN 0078671 ;
NSC 526417 ; Quinomycin A ; S-426-S (Lepetit) ; SK 302B ; Stereoisomer of N,N'-(2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo(12.12.3)nonacosane-7,20-diyl)bis(2-quinoxalinecarboxamide) .
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