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Chemistry

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Also known as: Echinomycin, Tg824j6rqt, 512-64-1, S-426-s (lepetit), Nsc-526417, N,n'-((1r,4s,7r,11s,14r,17s,20r,24s)-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(quinoxaline-2-carboxamide)
Molecular Formula
C51H64N12O12S2
Molecular Weight
1101.3  g/mol
InChI Key
AUJXLBOHYWTPFV-VITLIGDRSA-N
FDA UNII
TG824J6RQT

Echinomycin
A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis.
1 2D Structure

Echinomycin

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 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
2.1.3 InChI Key
AUJXLBOHYWTPFV-VITLIGDRSA-N
2.1.4 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
2.1.5 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
2.2 Other Identifiers
2.2.1 UNII
TG824J6RQT
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Echinomycin

2. Nsc 526417

3. Nsc-526417

4. Nsc526417

2.3.2 Depositor-Supplied Synonyms

1. Echinomycin

2. Tg824j6rqt

3. 512-64-1

4. S-426-s (lepetit)

5. Nsc-526417

6. N,n'-((1r,4s,7r,11s,14r,17s,20r,24s)-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(quinoxaline-2-carboxamide)

7. Unii-tg824j6rqt

8. Nsc-13502

9. Sk 302b

10. Nsc 526417

11. Brn 0078671

12. Echinomycin [mi]

13. Antibiotic A-654i

14. 4-27-00-09726 (beilstein Handbook Reference)

15. Chembl503868

16. Schembl13464701

17. Sk-302b

18. Db15582

19. 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)

20. Hy-106101

21. Cs-0024860

22. L-valine, N-(2-quinoxalinylcarbonyl)-o-(n-(2-quinoxalinylcarbonyl)-d-seryl-l-alanyl-3-mercapto-n,s-dimethylcysteinyl-n-methyl-l-valyl)-d-seryl-l-alanyl-n-methylcysteinyl-n-methyl-, (8->1)-lactone, Cyclic (3->7)-thioether

23. N-(2-quinoxalinylcarbonyl)-o-(n-(2-quinoxalinylcarbonyl)-d-seryl-l-alanyl-3-mercapto-n,s-dimethylcysteinyl-n-methyl-l-valyl)-d-seryl-l-alanyl-n-methylcysteinyl-n-methyl L-valine (8->1)-lactone Cyclic (3->7)-thioester

2.4 Create Date
2006-06-21
3 Chemical and Physical Properties
Molecular Weight 1101.3 g/mol
Molecular Formula C51H64N12O12S2
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count7
Exact Mass1100.42080787 g/mol
Monoisotopic Mass1100.42080787 g/mol
Topological Polar Surface Area352 Ų
Heavy Atom Count77
Formal Charge0
Complexity2200
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


Antibiotics, Antineoplastic

Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)


Nucleic Acid Synthesis Inhibitors

Compounds that inhibit cell production of DNA or RNA. (See all compounds classified as Nucleic Acid Synthesis Inhibitors.)


ABOUT THIS PAGE

Looking for 512-64-1 / Echinomycin API manufacturers, exporters & distributors?

Echinomycin manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Echinomycin API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Echinomycin manufacturer or Echinomycin supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Echinomycin manufacturer or Echinomycin supplier.

PharmaCompass also assists you with knowing the Echinomycin API Price utilized in the formulation of products. Echinomycin API Price is not always fixed or binding as the Echinomycin Price is obtained through a variety of data sources. The Echinomycin Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Echinomycin

Synonyms

Tg824j6rqt, 512-64-1, S-426-s (lepetit), Nsc-526417, N,n'-((1r,4s,7r,11s,14r,17s,20r,24s)-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(quinoxaline-2-carboxamide), Unii-tg824j6rqt

Cas Number

512-64-1

Unique Ingredient Identifier (UNII)

TG824J6RQT

About Echinomycin

A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis.

Echinomycin Manufacturers

A Echinomycin manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Echinomycin, including repackagers and relabelers. The FDA regulates Echinomycin manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Echinomycin API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Echinomycin Suppliers

A Echinomycin supplier is an individual or a company that provides Echinomycin active pharmaceutical ingredient (API) or Echinomycin finished formulations upon request. The Echinomycin suppliers may include Echinomycin API manufacturers, exporters, distributors and traders.

Echinomycin GMP

Echinomycin Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Echinomycin GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Echinomycin GMP manufacturer or Echinomycin GMP API supplier for your needs.

Echinomycin CoA

A Echinomycin CoA (Certificate of Analysis) is a formal document that attests to Echinomycin's compliance with Echinomycin specifications and serves as a tool for batch-level quality control.

Echinomycin CoA mostly includes findings from lab analyses of a specific batch. For each Echinomycin CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Echinomycin may be tested according to a variety of international standards, such as European Pharmacopoeia (Echinomycin EP), Echinomycin JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Echinomycin USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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