Abarelix | CAS No. 183552-38-7

Abarelix

Basic Information

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CAS Number

183552-38-7

Molecular Formula

C72H95ClN14O14

Molecular Weight

1416.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

1688.4°Cat760mmHg

Density

1.286

Flash Point

974.9°C

Refractive Index

1.601

SMILES

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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

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

LogP

1.1680000000000075

Topological Polar Surface Area

424.9799999999998 Å²

Hydrogen Bond Donor/Acceptor

15 / 28

Complexity

2770

Synonyms & References

English

R-3827
N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparagyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide
183552-38-7
Plenaxis (TN)
N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N(6)-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide
AT36700
Abarelix-Depot-M
Abarelix (USAN/INN)
R3827
L02XB01
Plenaxis depot
BDBM50102442
D02738
SCHEMBL9533
PPI 149R3827
DB00106
GTPL1188
DTXCID4093934
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-10
Abarelix [USAN:INN]
Plenaxis
W486SJ5824
Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nalpha-Me-Tyr]-D-Asn-Leu-ILys-Pro-DAla-NH2
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl- 10
N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide
DTXSID20171443
CS-5873
CHEMBL1252
abarelixum
Abarelix Trifluoroacetate Salt (~90%)
R 3827

MDL Number

MFCD06407663

FAQ

What are the physical and chemical properties of Abarelix (CAS: 183552-38-7)?

Abarelix is a white to off-white crystalline powder with a molecular weight of approximately 576.5 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and DMSO. Chemically, it is a nonpeptide gonadotropin-releasing hormone (GnRH) antagonist. It is stable under normal storage conditions and exhibits low reactivity with common laboratory reagents.

How is Abarelix (CAS: 183552-38-7) typically synthesized?

Abarelix is synthesized through a multi-step process involving the construction of key peptide segments and their subsequent coupling. Common synthetic methods include solid-phase peptide synthesis (SPPS) followed by purification steps such as HPLC. The synthesis typically requires standard laboratory equipment and reagents, with careful monitoring of reaction progress and product purity.

What industries use Abarelix (CAS: 183552-38-7)?

Abarelix is primarily used in the pharmaceutical industry, particularly in the treatment of breast cancer and prostate cancer by inhibiting the secretion of gonadotropins. It is also used in the research and development of other hormone-related therapies.

What precautions should be taken when handling Abarelix (CAS: 183552-38-7)?

Abarelix should be handled in a well-ventilated area with appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is not considered highly hazardous but should be stored in a cool, dry place, away from incompatible materials. In case of a spill, handle it with care and refer to the Material Safety Data Sheet (MSDS) for detailed instructions.