Echinomycin - ≥98% , CAS No.512-64-1

CAS: 512-64-1 Cat. No.: E275307 Molecular Weight: 1101.26 EC Number: 637-095-9

COA

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Echinomycin - ≥98% CAS No(512-64-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

C 6388 | GNF-PF-1958 | echinomycin (undefined stereochemistry) | N,N'-(11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-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(quinoxalin

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Describtion:

Antibiotic；Antitumor compound；Powerful, selective inhibitor of nucleic acid synthesis in vitro；Potent hypoxia-inducible factor 1 (HIF-1) DNA binding activity inhibitor；Apoptosis inducer；Antibacterial, antifungal and antiviral；Shown to inhibit the type I IFN−MHC class I pathway in muscle precursor cells (myoblasts).

Specifications

Synonyms

C 6388 | GNF-PF-1958 | echinomycin (undefined stereochemistry) | N, N'-(11, 24-diisopropyl-2, 4, 12, 15, 17, 25-hexamethyl-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(quinoxalin

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent, reversible cell-permeable HIF-1α inhibitor (EC 50 = 1.2 nM, hypoxia-induced HIF-1 transcription activity in U215 cells). Specifically intercalates into DNA. Antibacterial, antiviral, antiangiogenic and antitumor effects in vivo.

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Canonical Smiles	CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=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=C6N=C5)C)C)SC)C
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-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
InChIKey	AUJXLBOHYWTPFV-UHFFFAOYSA-N
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)
Isomeric SMILES	CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=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=C6N=C5)C)C)SC)C
Molecular Weight	1101.26
Reaxy-Rn	1071158
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071158&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Peptidomimetics
    - Subclass Depsipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Peptidomimetics
Subclass	Depsipeptides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic depsipeptides
Alternative Parents	Macrolide lactams Alpha amino acid esters N-acyl-alpha amino acids and derivatives Macrolactams Quinoxalines Pyrazinecarboxamides 2-heteroaryl carboxamides Benzenoids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Dithioacetals Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactones Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cyclic depsipeptide - Macrolide lactam - Alpha-amino acid ester - Macrolactam - N-acyl-alpha amino acid or derivatives - Diazanaphthalene - Alpha-amino acid or derivatives - Quinoxaline - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Dicarboxylic acid or derivatives - Pyrazine - Benzenoid - Thioacetal - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Thioether - Sulfenyl compound - Dialkylthioether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
H2315399	Certificate of Analysis	Oct 29, 2025	E275307
H2315400	Certificate of Analysis	May 06, 2024	E275307
H2315297	Certificate of Analysis	Jul 28, 2023	E275307

Solubility	Soluble in DMSO to 5 mM
Sensitivity	Moisture and light sensitive
Molecular Weight	1101.300 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Exact Mass	1100.42 Da
Monoisotopic Mass	1100.42 Da
Topological Polar Surface Area	352.000 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	2200.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1