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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 acetate (1:2) | CAS No. 129311-55-3

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 acetate (1:2)

Basic Information

Chemical_Structure_Of
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CAS Number

129311-55-3

Molecular Formula

C84H121ClN18O17

Molecular Weight

1690.45 g/mol

AD

Basic Physical Properties

SMILES

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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.CC(=O)O.CC(=O)O

InChI

InChI=1S/C80H113ClN18O13.2C2H4O2/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;2*1-2(3)4/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);2*1H3,(H,3,4)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+;;/m1../s1

InChIKey

OVBICQMTCPFEBS-SATRDZAXSA-N

LogP

2.454499999999971

pKa

4.2 (3-pyridinylalanine); 9.8 (tyrosine)

Topological Polar Surface Area

526.0899999999997 Ų

Hydrogen Bond Donor/Acceptor

19 / 35

Complexity

3060

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • GANIRELIX ACETATE [ORANGE BOOK]
  • D04302
  • HY-109532
  • Ganirelix acetate
  • GANIRELIX ACETATE [JAN]
  • 56U7906FQW
  • Orgalutran
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 6)-(N,N'-diethylamidino)-D-lysyl-L-leucyl-N(sup 6)-(N,N'-diethylamidino)-L-lysyl-L-prolyl-D-alaninamide diacetate (salt)
  • Ganirest
  • Fyremadel
  • GANIRELIX ACETATE [MART.]
  • Q27261435
  • Ganirelix (acetate)
  • Ganirelix acetate [USAN]
  • Antagon
  • 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-, diacetate (salt)
  • RS-26306
  • Ganirelix acetate (JAN/USAN)
  • Orgalutran TFA Salt
  • Ganirelix Acetate Injection
  • GANIRELIX ACETATE [WHO-DD]
  • AKOS025394292
  • RS-26306-298
  • Org-37462
  • 129311-55-3
  • UNII-56U7906FQW
  • Ganirest (TN)
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N6-(N,N'diethycarbamimidoyl)-D-lysyl-L-leucyl-N6-(N,N'diethycarbamimidoyl)-L-lysyl-L-prolyl-D-alaninamide diacetate
  • GANIRELIX ACETATE [MI]
  • J-005666
  • GANIRELIX ACETATE (MART.)

MDL Number

MFCD00026356

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 acetate (CAS: 129311-55-3)?
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 acetate (CAS: 129311-55-3) is subject to GHS classification for hazardous chemicals, REACH regulations for EU market access, and FDA/EPA requirements for safety and environmental compliance. Regulatory bodies may also require Material Safety Data Sheets (MSDS) and specific handling instructions to ensure worker safety and environmental protection.

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 acetate (CAS: 129311-55-3) in synthesis?
In the synthesis of 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 acetate (CAS: 129311-55-3), there are several alternatives and analogs such as related amino acids and peptides. Common alternatives include using other substituted amino acids and simpler peptide building blocks to achieve similar structural and functional properties.

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 acetate (CAS: 129311-55-3)?
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 acetate (CAS: 129311-55-3) is currently under research for its potential in pharmaceutical and bioactive applications. Market trends suggest increasing interest in its use as a pharmacological agent and as a model compound for studying protein-protein interactions. Research is also focusing on its synthesis and modification to enhance its therapeutic and functional properties.

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 acetate (CAS: 129311-55-3) be handled?
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 acetate (CAS: 129311-55-3) should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. Incineration or professional waste disposal services are recommended to ensure safe disposal. Environmental protection precautions include following local and national regulations for hazardous waste management to minimize ecological impact.

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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 acetate (1:2) — Shanghai Jixiang Biotechnology Co., Ltd.

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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 acetate (1:2) — Chengdu Sinopharm Biological Pharmaceutical Co., Ltd.

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