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Chemistry

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Also known as: Pexiganan acetate, 172820-23-4, Mangainin, Chembl4164909, Glycyl-isoleucyl-glycyl-lysyl-phenylalanyl-leucyl-lysyl-lysyl-alanyl-lysyl-lysyl-phenylalanyl-glycyl-lysy--alanyl-phenylalanyl-valyl-lysyl-isoleucyl-leucyl-lysyl-lysinamide acetate
Molecular Formula
C122H210N32O22
Molecular Weight
2477.2  g/mol
InChI Key
DNTVNGJSMLPWQF-CVJDLQKLSA-N

Cytolex
1 2D Structure

Cytolex

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide
2.1.2 InChI
InChI=1S/C122H210N32O22/c1-13-78(10)103(153-99(155)71-132)121(175)135-73-101(157)139-86(49-25-34-58-125)110(164)152-97(69-82-43-19-15-20-44-82)119(173)150-94(66-75(4)5)117(171)145-90(53-29-38-62-129)113(167)142-87(50-26-35-59-126)109(163)137-79(11)105(159)141-88(51-27-36-60-127)112(166)143-91(54-30-39-63-130)114(168)151-96(68-81-41-17-14-18-42-81)107(161)134-72-100(156)138-85(48-24-33-57-124)108(162)136-80(12)106(160)147-98(70-83-45-21-16-22-46-83)120(174)154-102(77(8)9)122(176)146-92(55-31-40-64-131)115(169)148-95(67-76(6)7)118(172)149-93(65-74(2)3)116(170)144-89(52-28-37-61-128)111(165)140-84(104(133)158)47-23-32-56-123/h14-22,41-46,74-80,84-98,102-103H,13,23-40,47-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,175)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,170)(H,145,171)(H,146,176)(H,147,160)(H,148,169)(H,149,172)(H,150,173)(H,151,168)(H,152,164)(H,153,155)(H,154,174)/t78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-/m0/s1
2.1.3 InChI Key
DNTVNGJSMLPWQF-CVJDLQKLSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)CN
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CN
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Locilex

2. Msi 78

3. Msi-78

4. Pexiganan

5. Pexiganan Acetate

2.2.2 Depositor-Supplied Synonyms

1. Pexiganan Acetate

2. 172820-23-4

3. Mangainin

4. Chembl4164909

5. Glycyl-isoleucyl-glycyl-lysyl-phenylalanyl-leucyl-lysyl-lysyl-alanyl-lysyl-lysyl-phenylalanyl-glycyl-lysy--alanyl-phenylalanyl-valyl-lysyl-isoleucyl-leucyl-lysyl-lysinamide Acetate

2.3 Create Date
2007-07-03
3 Chemical and Physical Properties
Molecular Weight 2477.2 g/mol
Molecular Formula C122H210N32O22
XLogP31
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count32
Rotatable Bond Count94
Exact Mass2476.6331013 g/mol
Monoisotopic Mass2475.6297465 g/mol
Topological Polar Surface Area914 Ų
Heavy Atom Count176
Formal Charge0
Complexity4940
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
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.)


ABOUT THIS PAGE

Cytolex Manufacturers

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

Cytolex Suppliers

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

click here to find a list of Cytolex suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Cytolex USDMF

A Cytolex DMF (Drug Master File) is a document detailing the whole manufacturing process of Cytolex active pharmaceutical ingredient (API) in detail. Different forms of Cytolex DMFs exist exist since differing nations have different regulations, such as Cytolex USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Cytolex DMF submitted to regulatory agencies in the US is known as a USDMF. Cytolex USDMF includes data on Cytolex's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Cytolex USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Cytolex suppliers with USDMF on PharmaCompass.

Cytolex GMP

Cytolex 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 Cytolex 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 Cytolex GMP manufacturer or Cytolex GMP API supplier for your needs.

Cytolex CoA

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

Cytolex CoA mostly includes findings from lab analyses of a specific batch. For each Cytolex 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.

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