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Heterocyclic compounds

2QN-Echinomycin

Also known as Quinomycin A, 1-(N-(2-quinolinylcarbonyl)-D-serine)-5-(N-(2-quinolinylcarbonyl)-D-serine)-

CAS 77196-00-0Formula C53H66N10O12S2Molar mass 1,099.30 g/mol
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2QN-Echinomycin chemical structure, C53H66N10O12S2, CAS 77196-00-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77196-00-0
Formula
C53H66N10O12S2
Molar mass
1,099.30 g/mol
HS code
293499
Category
Heterocyclic compounds

What is 2QN-Echinomycin?

Plain description, key identifiers and synonyms

2QN-Echinomycin is a chemical substance with the molecular formula C53H66N10O12S2 and a molar mass of 1,099.30 g/mol. Its CAS registry number is 77196-00-0. The IUPAC name is N-[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-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoline-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[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-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoline-2-carboxamide
CAS number
77196-00-0
Molecular formula
C53H66N10O12S2
InChIKey
FGMKIQADVFUCIT-UHFFFAOYSA-N
InChI
InChI=1S/C53H66N10O12S2/c1-27(2)40-51(72)74-24-38(59-44(65)36-23-21-32-17-13-15-19-34(32)57-36)46(67)55-30(6)48(69)63(10)42-50(71)62(9)41(28(3)4)52(73)75-25-37(58-43(64)35-22-20-31-16-12-14-18-33(31)56-35)45(66)54-29(5)47(68)60(7)39(49(70)61(40)8)26-77-53(42)76-11/h12-23,27-30,37-42,53H,24-26H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
SMILES (canonical and isomeric)
CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4C=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6C=C5)C)C)SC)C

Synonyms

  • Quinomycin A, 1-(N-(2-quinolinylcarbonyl)-D-serine)-5-(N-(2-quinolinylcarbonyl)-D-serine)-

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
1,099.30 g/molcalc.
Exact mass
1,098.4303 Dacalc.
LogP (octanol/water)
1.85calc.
Topological polar surface area
276 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
7calc.
Heavy atoms
77calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.47calc.
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)c2ccc3ccccc3n2)COC(=O)CNC(=O)C2CSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1ccc3ccccc3n1)C(=O)NCC(=O)N2

O=C1CNC(=O)C(NC(=O)c2ccc3ccccc3n2)COC(=O)CNC(=O)C2CSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1ccc3ccccc3n1)C(=O)NCC(=O)N2

6 rings, 63 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

2QN-Echinomycin suppliers

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2QN-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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 2QN-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 2QN-Echinomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2QN-Echinomycin, based on the data on this page

What is 2QN-Echinomycin?

2QN-Echinomycin is a chemical substance with the molecular formula C53H66N10O12S2 and a molar mass of 1,099.30 g/mol. Its CAS registry number is 77196-00-0.

What is the CAS number of 2QN-Echinomycin?

The CAS registry number of 2QN-Echinomycin is 77196-00-0.

What is the molecular formula and weight of 2QN-Echinomycin?

The molecular formula of 2QN-Echinomycin is C53H66N10O12S2 and its molar mass is 1,099.30 g/mol.

Is 2QN-Echinomycin hazardous?

No GHS hazard classification for 2QN-Echinomycin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2QN-Echinomycin?

2QN-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 2QN-Echinomycin?

Post a free request on CompoundList and suppliers of 2QN-Echinomycin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2QN-Echinomycin?

Suppliers quote 2QN-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 2QN-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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