Tacrolimus CAS 109581-93-3

• Iden­ti­fi­ca­tion
• Prop­er­ties
• Safe­ty Data
• Spec­i­fi­ca­tions & Oth­er Information
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Iden­ti­fi­ca­tion

CAS Number

109581-93-3

Name

Tacrolimus

Syn­onyms

(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-en-2,3,10,16-tetronhydrat (1:1) [Ger­man] [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone hydrate (1:1) [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-diméthoxy-13,19,21,27-tétraméthyl-11,28-dioxa-4-azatr ;icyclo[22.3.1.04,9]octacos-18-ène-2,3,10,16-tétrone, hydrate (1:1) [French] [ACD/IUPAC Name]
109581-93-3 [RN]
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxy­cy­cl ohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, hydrate (1:1) [ACD/​Index Name]
FK-506 mono­hy­drate
KD4201200
MFCD11045918 [MDL num­ber]
Tacrolimus [BAN] [INN] [JAN] [USAN] [Wiki]
Tacrolimus for sys­tem suit­abil­i­ty
Tacrolimus hydrate
TACROLIMUS MONO­HY­DRATE
(-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone mono­hy­drate­tacrolimus
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,1
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone – water (1/1)
[109581-93-3]
109581-93-3 (hydrate)
3,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone – water (1/1)
FK506
https://​www​.ebi​.ac​.uk/​c​h​e​b​i​/​s​e​a​r​c​h​I​d​.​d​o​?​c​h​e​b​i​I​d​=​C​H​E​B​I​:​6​1​057
KS-1245
Pro­graf [Trade name]
Pro­graf (TN)
Pro­graf ; Pro­topic
Pro­topic
Pro­topic (TN)
Tacrolimus (mono­hy­drate)
Tacrolimus (USAN/INN)
Tacrolimus hydrate (JAN) [JAN]
Tacrolimus Mono­hy­drate 1.0 mg/​ml in Ace­toni­trile (as anhy­drous sub­stance)
Tacrolimus mono­hy­drate ; FK506
Tsukubaeno­lide hydrate

SMILES

C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC.O

Std­InChI

InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3 ;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1

Std­InChIKey

NWJQLQGQZSI­BAF-MLAUYUE­B­SA-N

Mol­e­c­u­lar Formula

C₄₄H₆₉NO₁₂ · H₂O

Mol­e­c­u­lar Weight

822.03

MDL Number

MFCD11045918

Prop­er­ties

Appear­ance

White or almost white powder

Safe­ty Data

Sym­bol

GHS06

Sig­nal Word

Dan­ger

Haz­ard statements

H301

Pre­cau­tion­ary Statements

P301 + P330 + P331 + P310

RIDADR 

UN 2811 6.1 / PGI­II

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Tacrolimus CAS 109581-93-3

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Assay

98.0% ~ 102.0%

Spe­cif­ic Opti­cal Rotation

-110°~ -115°

Heavy Met­als

≤10 ppm

Water

≤4.0%

Organ­ic Impurities

Asomycin 19-Epimer

≤0.1%

Ascomycin

≤0.5%

Desmethyl Tacrolimus

≤0.1%

Tacrolimus 8-Epimer

≤0.15%

Tacrolimus 8-Propyl Analog

≤0.15%

Any Indi­vid­ual Un Spec­i­fied Impurity

≤0.1%

Total Impu­ri­ties

≤1.0%

Resid­ual Solvent

Ethanol

≤0.5%

Ace­tone

≤0.5%

Eth­yl Acetate

≤0.5%

Iso­propyl Ether

≤0.5%

Shelf Life

2 years

Stor­age

Store at 2-8℃, sealed and away from light.

Known Appli­ca­tion

Tacrolimus is a macrolide com­pound that binds to FK506 bind­ing pro­tein (FKBP) to form a com­plex and inhibits cal­cineurin phos­phatase, there­by inhibit­ing T lym­pho­cyte sig­nal trans­duc­tion and IL-2 tran­scrip­tion. It has strong immuno­sup­pres­sive properties.

Links

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd(http://​www​.cam​ing​.com/), and here is the cor­re­spond­ing link http://​www​.cam​ing​.com/​t​a​c​r​o​l​i​m​u​s​-​c​a​s​-​1​0​9​5​8​1​-​9​3​-3/

Quick Inquiry

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