N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D- alaninamide | CAS No. 123246-29-7

N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D- alaninamide

Basic Information

CAS Number

123246-29-7

Molecular Formula

C80H113ClN18O13

Molecular Weight

1570.35 g/mol

AD

Basic Physical Properties

CCNC(=NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=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)NCC

InChI

InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1

InChIKey

GJNXBNATEDXMAK-PFLSVRRQSA-N

LogP

2.272699999999972

Topological Polar Surface Area

451.48999999999984 Ų

Hydrogen Bond Donor/Acceptor

17 / 31

Complexity

3030

Synonyms & References

English

  • GJNXBNATEDXMAK-PFLSVRRQSA-N
  • Ganirelix acetate
  • DTXSID401027283
  • Orgalutran
  • Ganirelixum [INN-Latin]
  • CHEMBL1251
  • Ganirelix [INN:BAN]
  • CHEBI:135910
  • BDBM50102454
  • EN300-19652012
  • DB06785
  • RS-26306
  • Ganirelixum
  • D-Alaninamide, N-acetyl-3-(1-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl-L-prolyl-
  • D 24598
  • Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-Tyr-D-Har(Et2)-Leu-Har(Et2)-Pro-DAla-NH2
  • H01CC01
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N6-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N6-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-
  • GANIRELIX [VANDF]
  • Ganirelixum (INN-Latin)
  • GANIRELIX [WHO-DD]
  • Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Tyr-D-hArg(Et,Et)-Leu-hArg(Et,Et)-Pro-D-Ala-NH2 3 AcOH
  • 124904-93-4
  • D-24598
  • GANIRELIX [EMA EPAR]
  • GnRH, N-Ac-2-Nal(1)-4-Cl-Phe(2)-3-Pal(3)-Et2-hArg(6,8)-AlaNH2(10)-
  • N-Ac-(2-naphthyl)Ala-2-(4-Cl-Phe)-3-(3-pyridinyl-Ala)-6,8-Et2-hArg-10-AlaNH2-LHRH
  • Y-100038
  • Orgalutran (TN)
  • UNII-IX503L9WN0
  • IX503L9WN0

MDL Number

MFCD00869671

FAQ

What regulatory guidelines apply to N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D-alaninamide (CAS: 123246-29-7)?

The compound requires adherence to GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labelling, and REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for registration and handling in the European Union. In the U.S., FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations may apply, particularly if the compound is intended for pharmaceutical or environmental use.

Are there alternatives to N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D-alaninamide (CAS: 123246-29-7) in synthesis?

Synthesis alternatives may include using isomers or analogs such as N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-D-prolyl-D-alaninamide or employing different reagents like substituted amino acids or peptides with similar functional groups.

What is the market or research trend for N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D-alaninamide (CAS: 123246-29-7)?

Market trends suggest growing interest in the compound due to its potential in pharmaceutical applications, particularly in anticancer and anti-inflammatory research. Current research focuses on understanding its mechanism of action and exploring its therapeutic potential in various diseases.

How should waste containing N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylene]-D-lysyl-L-leucyl-N~6~-[bis(ethylamino)methylene]-L-lysyl-L-prolyl-D-alaninamide (CAS: 123246-29-7) be handled?

Waste containing this compound should be collected in appropriate containers and stored safely to prevent environmental contamination. Incineration is a common method for waste disposal, but professional waste disposal services are recommended. Proper environmental protection measures, such as ensuring containment and minimizing exposure, should be followed during handling and disposal.

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