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63775-96-2

Cyclosporin D

CAS: 63775-96-2

Molecular Formula: C63H113N11O12

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63775-96-2 - Names and Identifiers

Name Cyclosporin D
Synonyms CYCLOSPORIN D
Cyclosporin D
Val2-cyclosporine
7-L-Valinecyclosporin A
Cyclosporine IMpurity-D
Cyclosporin D, froM MicroMonospora
(3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]cyclo(L-Leu-L-Val-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-)
(3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]-cyclo(L-Leu-L-Val-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-)
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]
(3S,6S,9R,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-3,21,30-tris(1-methylethyl)-6,9,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CAS 63775-96-2
EINECS 806-434-4
InChI InChI=1/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 YJDYDFNKCBANTM-QCWCSKBGSA-N

63775-96-2 - Physico-chemical Properties

Molecular FormulaC63H113N11O12
Molar Mass1216.64
Density1.015±0.06 g/cm3(Predicted)
Melting Point148-1510C
Boling Point1294.7±65.0 °C(Predicted)
Specific Rotation(α)D20 -245° (c = 0.52 in CHCl3); D20 -211° (c = 0.51 in methanol)
Flash Point9 °C
Solubility Chloroform (Sparingly), Ethyl Aceatate (Slightly), Methanol (Slightly)
Vapor Presure0mmHg at 25°C
AppearanceColorless to white crystalline solid.
ColorWhite to Off-White
pKa13.22±0.70(Predicted)
Storage Condition-20°C Freezer
Refractive Index1.468
MDLMFCD11111526
In vitro study Cyclosporine D inhibits Ca 2+ /calmodulin dependent EF-2 phosphorylation in vitro.
In vivo study Cyclosporine D is a potent inhibitor in vivo of phorbol ester TPA-induced biological effects in mouse skin.

63775-96-2 - Risk and Safety

Risk CodesR11 - Highly Flammable
R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36 - Irritating to the eyes
R39/23/24/25 -
R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
Safety DescriptionS16 - Keep away from sources of ignition.
S36/37 - Wear suitable protective clothing and gloves.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S7 - Keep container tightly closed.
UN IDsUN 1648 3 / PGII
WGK Germany2
HS Code29419090

63775-96-2 - Reference

Reference
Show more
1. [IF=4.384] Xinxin Jiang et al."Amorphous solid dispersions of cyclosporine A with improved bioavailability prepared via hot melt extrusion: Formulation, physicochemical characterization, and in vivo evaluation."Eur J Pharm Sci. 2022 Jan;168:106036

63775-96-2 - Reference Information

biological activity Cyclosporin D is a metabolite of Cyclosporin A and is a weak immunosuppressant. Cyclosporin D acts as an internal standard for quantification of Cyclosporin A. Cyclosporin A is an immunosuppressive drug that inhibits T cell activation by inhibiting calcineurin and calcineurin-dependent transcription factor-activated T cell nuclear factor (NFAc).
in vitro study Cyclosporine D inhibits Ca 2 /calmodulin dependent EF-2 phosphorylation in vitro.
in vivo study Cyclosporine D is a potent inhibitor in vivo of phorbol ester TPA-induced biological effects in mouse skin.
Last Update：2024-04-09 20:52:54
63775-96-2
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Email: 3008007409@qq.com
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63775-96-2
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