PHALLACIDIN | CAS No. 26645-35-2

PHALLACIDIN

Basic Information

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CAS Number

26645-35-2

Molecular Formula

C37H50N8O13S

Molecular Weight

846.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Refractive Index

1.7400 (estimate)

SMILES

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CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)O)O

InChI

InChI=1S/C37H50N8O13S/c1-15(2)25-32(53)44-26(27(48)36(56)57)33(54)41-23-13-59-34-19(18-7-5-6-8-20(18)42-34)10-21(29(50)40-22(30(51)43-25)11-37(4,58)14-46)39-28(49)16(3)38-31(52)24-9-17(47)12-45(24)35(23)55/h5-8,15-17,21-27,42,46-48,58H,9-14H2,1-4H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)(H,56,57)

InChIKey

KUBDTFZQCYLLGC-UHFFFAOYSA-N

LogP

-4.044899999999998

Topological Polar Surface Area

328.92 Å²

Hydrogen Bond Donor/Acceptor

12 / 21

Complexity

1660

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

H330 Fatal if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

SCHEMBL3507281
DTXSID001046316
2-[28-(2, 3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15, 21, 24, 26, 29, 32, 35-heptaoxo-31-propan-2-yl-12-thia-10, 16, 22, 25, 27, 30, 33, 36-octazapentacyclo[12.11.11.03, 11.04, 9.016, 20]hexatriaconta-3(11), 4, 6, 8-tetraen-34-yl]-2-hydroxyacetic acid
2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxyacetic acid
BRN 0604129
J-016505
Phallacidin
26645-35-2
Phallacidin from Amanita phalloides, >=85%
cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-erythro-3-hydroxy-D-alpha-aspartyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide
Phallacidin(7CI,8CI,9CI)
Phallacidin from Amanita phalloides
Cyclo(Ala-2-Mercapto-Trp-4,5-Dihydroxy-Leu-Val-erythro-3-Hydroxy-D-Asp-Cys-cis-4-Hydroxy-Pro)
CYCLO[ALA-2-MERCAPTO-TRP-4,5-DIHYDROXY-LEU-VAL-ERYTHRO-3-HYDROXY-D-ASP-CYS-CIS-4-HYDROXY-PRO]
Cyclo[L-Ala-L-Trp2(1)-4,5-dihydroxy-L-Leu-L-Val-[(3S)-3-hydroxy-D-Asp-]-L-Cys(1)-L-c4Hyp-]
PHALLICIDIN

MDL Number

MFCD00063359

FAQ

What regulatory guidelines apply to PHALLACIDIN (CAS: 26645-35-2)?

PHALLACIDIN (CAS: 26645-35-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for health hazards. In the European Union, it falls under REACH regulations for chemical registration, evaluation, authorization, and restriction. For pharmaceutical and food industries, FDA and EPA guidelines must be adhered to for safety and environmental impact assessments.

Are there alternatives to PHALLACIDIN (CAS: 26645-35-2) in synthesis?

Alternative reagents such as similar fungal metabolites like sitafloxacin or synthetic analogs like fusicoccin-A can be used as alternatives in synthesis. Researchers often explore isomers or structurally similar compounds to achieve similar effects or improve synthetic pathways.

What is the market or research trend for PHALLACIDIN (CAS: 26645-35-2)?

Market trends for PHALLACIDIN (CAS: 26645-35-2) indicate increasing interest in its potential applications in anti-inflammatory and anti-cancer research. Studies are focusing on its biological activities, which could lead to new therapeutic approaches. Additionally, there is a growing trend towards developing safer and more effective derivatives.

How should waste containing PHALLACIDIN (CAS: 26645-35-2) be handled?

Waste containing PHALLACIDIN (CAS: 26645-35-2) should be collected in appropriate containers and disposed of through incineration or professional waste disposal methods. Proper environmental protection measures must be taken to prevent contamination. It is crucial to follow local and international regulations for hazardous chemical waste disposal.