Cyclosporin D | CAS No. 63775-96-2

Cyclosporin D

Basic Information

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CAS Number

63775-96-2

Molecular Formula

C63H113N11O12

Molecular Weight

1216.6 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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

148-151 ºC

Flash Point

9 °C

Specific Rotation

D20 -245° (c = 0.52 in CHCl3); D20 -211° (c = 0.51 in methanol)

SMILES

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CC=CCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C)O

InChI

InChI=1S/C63H113N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-53,76H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+,53-/m1/s1

InChIKey

ZNVBEWJRWHNZMK-SYOLRUPNSA-N

LogP

4.60370

Complexity

2360

Synonyms & References

English

Cyclosporin D
Val2-cyclosporine
Cyclosporin A, 7-L-valine-
CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R,6E)-6,7-DIDEHYDRO-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCTANOYL-L-VALYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)
UNII-8ZD3I5M2HF
63775-96-2
SCHEMBL18163232
DTXSID201017529
HY-W019721
CS-0031996
CYCLOSPORIN D [MI]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Q27271235
CYCLOSPORINE D
CHEMBL4465770
AKOS030573280
8ZD3I5M2HF
AS-56507
Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-valyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
Cyclosporin D solution
7-L-Valinecyclosporin A
cyclosporine D
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

MDL Number

MFCD11111526

FAQ

What is Cyclosporin D (CAS: 63775-96-2)?

Cyclosporin D (CAS: 63775-96-2) is a cyclic peptide immunosuppressant isolated from the fungus Hypoxylon ellisii. It has a molecular formula of C29H44N6O7 and is known for its immunosuppressive properties.

What are the main uses of Cyclosporin D (CAS: 63775-96-2)?

Cyclosporin D (CAS: 63775-96-2) is primarily used as an immunosuppressant in organ transplantation to prevent organ rejection. It is also used in the treatment of autoimmune diseases and in research contexts for its immunosuppressive effects.

Is Cyclosporin D (CAS: 63775-96-2) safe?

Cyclosporin D (CAS: 63775-96-2) is generally considered safe when used under medical supervision. However, it can cause side effects such as nephrotoxicity and hypertension. It is important to follow safety guidelines and use appropriate protective measures.

How should Cyclosporin D (CAS: 63775-96-2) be stored?

Cyclosporin D (CAS: 63775-96-2) should be stored in a cool, dry place, away from direct sunlight and sources of heat. The container should be tightly sealed to prevent degradation. It is recommended to keep it at a temperature below 25°C and use within the expiration date indicated by the manufacturer.