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Abarelix，R3827，PPI 149 - ≥98%, high purity , CAS No.183552-38-7

COA

Grade & Purity:

≥98%

Cas Number: 183552-38-7
Molecular Weight: 1416.1
PubChem CID: 16131215

In stock

Item Number

A728665

Grouped product items
SKU	Size	Availability	Price	Qty
A728665-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,630.90

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Class A GPCR (4138) m-PEG (327)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Oligopeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Oligopeptides
Alternative Parents	Tyrosine and derivatives Phenylalanine and derivatives Asparagine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Naphthalenes Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Pyridines and derivatives N-acyl amines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Primary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Asparagine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - Naphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Halobenzene - Chlorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - N-acyl-amine - Benzenoid - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors	polypeptide
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

Associated Targets(Human)

GNRHR Tclin Gonadotropin-releasing hormone receptor (3398 Activities)

Discover Target: GNRHR

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(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]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
INCHI	InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1
InChIKey	AIWRTTMUVOZGPW-HSPKUQOVSA-N
Smiles	CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N(C)C(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C
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](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C
PubChem CID	16131215
Molecular Weight	1416.1

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	1416.100 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	38
Exact Mass	1414.68 Da
Monoisotopic Mass	1414.68 Da
Topological Polar Surface Area	425.000 Å²
Heavy Atom Count	101
Formal Charge	0
Complexity	2770.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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