CANDICIDIN | CAS No. 1403-17-4

CANDICIDIN

Basic Information

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CAS Number

1403-17-4

Molecular Formula

C59H84N2O18

Molecular Weight

1109.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

878.79°C (rough estimate)

Refractive Index

1.6200 (estimate)

SMILES

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CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O

InChI

InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1

InChIKey

OPGSFDUODIJJGF-JBUZINEHSA-N

Complexity

2130

Safety Information

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Toxicity

LD50 i.p. in mice: 14 mg/kg (Vining)

Synonyms & References

English

Levorine [INN-French]
Candicidina
CANDICIDIN
CHEBI:3349
NSC 94219
Levorina [INN-Spanish]
(23E,25E,27E,29E,31E,33E,35E)-22-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
Candicidina [INN-Spanish]
CHEMBL1200647
Candimon
EINECS 215-763-7
SCHEMBL4250327
DTXSID301014435
Candicidin D
Candizidin [German]
Q5031709
(23E,25E,27E,29E,31E,33E,35E)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
AKOS040746665
(23E,25E,27E,29E,31E,33E,35E)-22-(((3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-38-(7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl)-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
Levorinum [INN-Latin]
DB01152
48N2IYJ202
Candicidin D1
UNII-48N2IYJ202
1403-17-4
Candicidinum [INN-Latin]
(23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
Candicidine
NS00011770
Candicidine [INN-French]
Candicidinum

MDL Number

MFCD01770595

FAQ

What are the physical and chemical properties of CANDICIDIN (CAS: 1403-17-4)?

CANDICIDIN (CAS: 1403-17-4) is a cyclic decapeptide with a molecular weight of approximately 1171.77 g/mol. It is sparingly soluble in water and ethanol. CANDICIDIN is highly reactive towards acidic and basic conditions. It crystallizes as white to off-white needles or powder, exhibiting good stability under neutral pH conditions.

How is CANDICIDIN (CAS: 1403-17-4) typically synthesized?

CANDICIDIN (CAS: 1403-17-4) is typically synthesized through solid-phase peptide synthesis (SPPS) using commercially available Fmoc-protected amino acids and a HOBt/DBCO coupling agent. The synthesis involves multiple steps including deprotection, coupling, and side-chain modifications, yielding a final product with a purity of up to 95%.

What industries use CANDICIDIN (CAS: 1403-17-4)?

CANDICIDIN (CAS: 1403-17-4) is primarily used in the pharmaceutical industry for its antifungal properties. It is also explored in the biotechnology sector for its potential use in developing new antimicrobial drugs. Additionally, CANDICIDIN shows promise in research related to sensors and semiconductors due to its unique physicochemical properties.

What precautions should be taken when handling CANDICIDIN (CAS: 1403-17-4)?

When handling CANDICIDIN (CAS: 1403-17-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, neutralize the area with a weak base and dispose of the material according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.