KT-333

 CAS No.: 2502186-79-8  Cat No.: BP-900094 4.5  

KT-333 is a molecular glue of STAT3 for the treatment of multiple STAT3-dependent pathologies. It is undergoing clinical trials for the treatment of relapsed/refractory liquid and solid tumors.

KT-333

Structure of 2502186-79-8

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Category
Molecular Glue
Molecular Formula
C60H74ClN10O14PS
Molecular Weight
1257.78
Appearance
White to off-white solid

* For research and manufacturing use only. Not for human or clinical use.

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Appearance
White to off-white solid
Storage
Store at -20 °C
IUPACName
[2-[[(5S,8S,10aR)-3-acetyl-8-[[(2S)-5-amino-1-[2-chloro-3-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]phenoxy]-5-oxopentan-2-yl]carbamoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indole-5-carbonyl]phosphonic acid
Synonyms
Lirodegimod; KT 333; KT333
InChI Key
OANZCHOMQTZJOO-KTRCLUSBSA-N
InChI
InChI=1S/C60H74ClN10O14PS/c1-32(35-13-15-37(16-14-35)52-33(2)63-31-87-52)64-56(78)47-27-42(73)28-70(47)58(80)53(60(4,5)6)68-50(75)12-8-10-36-9-7-11-48(51(36)61)85-30-40(18-22-49(62)74)65-55(77)46-21-19-41-23-24-69(34(3)72)29-45(57(79)71(41)46)67-54(76)44-26-39-25-38(17-20-43(39)66-44)59(81)86(82,83)84/h7,9,11,13-17,20,25-26,31-32,40-42,45-47,53,66,73H,8,10,12,18-19,21-24,27-30H2,1-6H3,(H2,62,74)(H,64,78)(H,65,77)(H,67,76)(H,68,75)(H2,82,83,84)/t32-,40-,41+,42+,45-,46-,47-,53+/m0/s1
Canonical SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCC4=C(C(=CC=C4)OC[C@H](CCC(=O)N)NC(=O)[C@@H]5CC[C@H]6N5C(=O)[C@H](CN(CC6)C(=O)C)NC(=O)C7=CC8=C(N7)C=CC(=C8)C(=O)P(=O)(O)O)Cl)O

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L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
g

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