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Chemistry

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Also known as: Chembl262747, Mer-104, S3439d3b35, D-alaninamide, n-acetyl-3-(2-naphthalenyl)-d-alanyl-4-chloro-d-phenylalanyl-3-(3-pyridinyl)-d-alanyl-l-seryl-4-(acetylamino)-l-phenylalanyl-4-(acetylamino)-d-phenylalanyl-l-leucyl-n6-(1-methylethyl)-l-lysyl-l-prolyl-, Unii-s3439d3b35, Bdbm50102456
Molecular Formula
C80H102ClN15O14
Molecular Weight
1533.2  g/mol
InChI Key
ZWNUQDJANZGVFO-YHSALVGYSA-N
FDA UNII
S3439D3B35

Acyline
Acyline has been investigated for the prevention and treatment of Hypogonadism and Contraception.
1 2D Structure

Acyline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
2.1.2 InChI
InChI=1S/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1
2.1.3 InChI Key
ZWNUQDJANZGVFO-YHSALVGYSA-N
2.1.4 Canonical SMILES
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)C)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C
2.1.5 Isomeric SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)C)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C
2.2 Other Identifiers
2.2.1 UNII
S3439D3B35
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Chembl262747

2. Mer-104

3. S3439d3b35

4. D-alaninamide, N-acetyl-3-(2-naphthalenyl)-d-alanyl-4-chloro-d-phenylalanyl-3-(3-pyridinyl)-d-alanyl-l-seryl-4-(acetylamino)-l-phenylalanyl-4-(acetylamino)-d-phenylalanyl-l-leucyl-n6-(1-methylethyl)-l-lysyl-l-prolyl-

5. Unii-s3439d3b35

6. Bdbm50102456

7. Db11906

8. Hy-16027

9. Cs-0006118

10. Q27288520

11. Ac-d-nal-[d-(pcl)phe]-d-pal-ser-[aph(ac)]-d-[aph(ac)]-leu-ilys-pro-dala-nh2

2.4 Create Date
2007-07-04
3 Chemical and Physical Properties
Molecular Weight 1533.2 g/mol
Molecular Formula C80H102ClN15O14
XLogP35.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count40
Exact Mass1531.7419207 g/mol
Monoisotopic Mass1531.7419207 g/mol
Topological Polar Surface Area429 Ų
Heavy Atom Count110
Formal Charge0
Complexity3050
Isotope Atom Count0
Defined Atom Stereocenter Count10
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

Hormone Antagonists

Chemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. (See all compounds classified as Hormone Antagonists.)


API Reference Price

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19-Dec-2021
11-Jan-2022
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ABOUT THIS PAGE

Acyline Manufacturers

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

Acyline Suppliers

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

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

Acyline USDMF

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

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

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

Acyline GMP

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

Acyline CoA

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

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

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