Ziconotide Acetate

Basic Information

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CAS Number

107452-89-1

Molecular Formula

C102H172N36O32S7

Molecular Weight

2639.2 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN

InChI

InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1

InChIKey

BPKIMPVREBSLAJ-QTBYCLKRSA-N

LogP

-16.212859999999978

Topological Polar Surface Area

1133.84 Å²

Hydrogen Bond Donor/Acceptor

50 / 68

Complexity

5480

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

L-Cysteinyl-L-lysylglycyl-L-lysylglycyl-L-alanyl-L-lysyl-L-cysteinyl-L-seryl-L-arginyl-L-leucyl-L-methionyl-L-tyrosyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonylglycyl-L-seryl-L-cysteinyl-L-arginyl-L-serylglycyl-L-lysyl-L-cysteinamide cyclic (1-16),(8-20),(15-25)-tris(disulfide)
H-Cys-Lys-Gly-Lys-Gly-Ala-Lys-Cys-Ser-Arg-Leu-Met-Tyr-Asp-Cys-Cys-Thr-Gly-Ser-Cys-Arg-Ser-Gly-Lys-Cy
AKOS015994641
Y-100004
omega-Conotoxin MVIIA, >=95% (HPLC)
DTXSID60883174
GTPL2536
ziconotidum
Ziconotide
omega-Conotoxin M VIIA (reduced), cyclic (1-16),(8-20),(15-25)-tris(disulfide)
NS00068028
Ziconotide [USAN:INN]
Ziconotida
CS-0015087
Prialt
omega-Conotoxin mviia, conus magus
SNX-111
CHEMBL4594214
N02BG08
HY-P0062
150770-63-1
ZICONOTIDE (MART.)
HSDB 7609
7I64C51O16
omega-conotoxin MVIIA
DTXCID901323852
omega-Conotoxin M VIIA
CHEBI:135912
MFCD00145036
CHEBI:142406
AC-8938

MDL Number

MFCD00145036

FAQ

What regulatory guidelines apply to Ziconotide Acetate (CAS: 107452-89-1)?

Ziconotide Acetate (CAS: 107452-89-1) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for classification and labeling of chemicals. It must comply with REACH regulations in the European Union for the registration of substances. In the United States, it is regulated by the FDA under the Controlled Substances Act. Additionally, the EPA oversees its environmental safety and disposal requirements. Compliance with these regulations is essential for the safe handling, manufacturing, and distribution of Ziconotide Acetate.

Are there alternatives to Ziconotide Acetate (CAS: 107452-89-1) in synthesis?

While Ziconotide Acetate (CAS: 107452-89-1) is a valuable compound, there are alternative synthetic routes involving similar analogs and isomers. Commonly, researchers explore alternatives such as cyclic peptides, which can offer similar analgesic properties. Alternative reagents like modified amino acids and synthetic intermediates are also used to avoid the direct synthesis of Ziconotide Acetate, providing flexibility in chemical synthesis.

What is the market or research trend for Ziconotide Acetate (CAS: 107452-89-1)?

The market for Ziconotide Acetate (CAS: 107452-89-1) reflects ongoing research into its potential for treating chronic pain conditions. Recent trends show a focus on optimizing delivery systems and understanding its pharmacokinetics for better clinical outcomes. Research is also directed towards identifying and developing analogs that may offer enhanced efficacy or reduced side effects. Market demand remains stable, driven by its unique mechanism of action and potential in pain management.

How should waste containing Ziconotide Acetate (CAS: 107452-89-1) be handled?

Waste containing Ziconotide Acetate (CAS: 107452-89-1) should be collected in a sealed, leak-proof container and labeled appropriately for hazardous waste. It should be disposed of through professional waste disposal services that comply with environmental protection standards. Incineration or chemical neutralization may be necessary, depending on local regulations. Ensure all handling practices adhere to safety guidelines to prevent exposure and environmental contamination.