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Heterocyclic compounds

Echinomycin

Also known as Quinomycin A, SK 302B, Antibiotic a-654i

CAS 512-64-1Formula C51H64N12O12S2Molar mass 1,101.28 g/molEC 637-095-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 2 suppliers listed
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Echinomycin chemical structure, C51H64N12O12S2, CAS 512-64-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
512-64-1
Formula
C51H64N12O12S2
Molar mass
1,101.28 g/mol
Solubility
Soluble in 5% Cremophor EL /5% ethanol /90% water at 0.4mg/mL. Very insoluble in water.
HS code
293499
Category
Heterocyclic compounds

What is Echinomycin?

Plain description, key identifiers and synonyms

Echinomycin is a polypeptide quinoxaline antineoplastic antibiotic isolated from the bacterium Streptomyces echinatus. Echinomycin intercalates into DNA at two locations simultaneously in a sequence-specific fashion, thereby inhibiting DNA replication and RNA synthesis. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
CAS number
512-64-1 CAS number cross-checked
EC number
637-095-9
Molecular formula
C51H64N12O12S2
UNII
TG824J6RQT
InChIKey
AUJXLBOHYWTPFV-VITLIGDRSA-N
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)/t27-,28-,35+,36+,37-,38-,39-,40+,51?/m0/s1
Canonical SMILES
CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C
Isomeric SMILES
C[C@H]1C(=O)N([C@H]2CSC([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C

Synonyms

  • Quinomycin A
  • SK 302B
  • Antibiotic a-654i
  • Echinomycin A
  • Bis-Quinoline Analogue
  • S-426-S (Lepetit)
  • 4-27-00-09726 (Beilstein Handbook Reference)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Solubility
Soluble in 5% Cremophor EL /5% ethanol /90% water at 0.4mg/mL. Very insoluble in water.exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,101.28 g/molcalc.
Exact mass
1,100.4208 Dacalc.
LogP (octanol/water)
0.64calc.
Topological polar surface area
301.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
7calc.
Heavy atoms
77calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.49calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CNC(=O)C(NC(=O)c2cnc3ccccc3n2)COC(=O)CNC(=O)C2CSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NCC(=O)N2

O=C1CNC(=O)C(NC(=O)c2cnc3ccccc3n2)COC(=O)CNC(=O)C2CSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NCC(=O)N2

6 rings, 63 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Echinomycin suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Echinomycin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Bacterial Agents
  • Antibiotics, Antineoplastic
  • Nucleic Acid Synthesis Inhibitors

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Echinomycin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Echinomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Echinomycin, based on the data on this page

What is Echinomycin?

Echinomycin is a polypeptide quinoxaline antineoplastic antibiotic isolated from the bacterium Streptomyces echinatus. Echinomycin intercalates into DNA at two locations simultaneously in a sequence-specific fashion, thereby inhibiting DNA replication and RNA synthesis. (NCI04)

What is the CAS number of Echinomycin?

The CAS registry number of Echinomycin is 512-64-1.

What is the molecular formula and weight of Echinomycin?

The molecular formula of Echinomycin is C51H64N12O12S2 and its molar mass is 1,101.28 g/mol.

What is Echinomycin used for?

Known uses and roles of Echinomycin include anti-bacterial agents, antibiotics, antineoplastic and nucleic acid synthesis inhibitors.

Is Echinomycin hazardous?

Echinomycin carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Echinomycin?

Echinomycin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Echinomycin?

CompoundList lists 2 suppliers of Echinomycin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Echinomycin?

Suppliers quote Echinomycin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Echinomycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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