Metabolites

JH-XI-10-02 View larger

JH-XI-10-02

AOB17837

CAS: 2209085-22-1

 

Chemical Name: 1-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-N-((3S,5S,8R,9S,10S,13S,14S,17S)-17-(isoquinolin-7-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methyl-3,6,9,12-tetraoxapentadecan-15-amide

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Quantity Discount Table - Order More To Get More Price Discount

QuantitymgUnit Price ($/mg or $/Unit)Final Price
1100 $42.75 Total: $4,275.00
150 $49.40 Total: $2,470.00
125 $57.95 Total: $1,448.75
110 $68.40 Total: $684.00
15 $80.75 Total: $403.75

Data sheet

Molecular FormulaC53H69N5O9
Molecular Weight920.16
CAS Numbers2209085-22-1
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
SynonymJH-XI-10-02; JH-XI10-02; JH-XI 10-02; JH-XI-1002; JH-XI1002; JH-XI 1002; JHXI-1002; JHXI1002; JHXI 1002;
IUPAC/Chemical Name1-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-N-((3S,17S)-17-(isoquinolin-7-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methyl-3,6,9,12-tetraoxapentadecan-15-amide
InChl KeyJECHBTRAPARMGI-IBMRIUJRSA-N
InChl CodeInChI=1S/C53H69N5O9/c1-52-19-15-38(32-37(52)9-10-39-42-12-11-41(53(42,2)20-16-43(39)52)35-8-7-34-17-21-54-33-36(34)31-35)57(3)47(60)18-23-64-25-27-66-29-30-67-28-26-65-24-22-55-44-6-4-5-40-48(44)51(63)58(50(40)62)45-13-14-46(59)56-49(45)61/h4-8,17,21,31,33,37-39,41-43,45,55H,9-16,18-20,22-30,32H2,1-3H3,(H,56,59,61)/t37?,38-,39?,41+,42?,43?,45?,52?,53?/m0/s1
SMILES CodeO=C(N([C@H]1CCC2(C)C3CCC4(C)[C@@H](C5=CC6=C(C=C5)C=CN=C6)CCC4C3CCC2C1)C)CCOCCOCCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O
References1) Development of Highly Potent and Selective Steroidal Inhibitors and Degraders of CDK8 John M. Hatcher, Eric S. Wang, Liv Johannessen, Nicholas Kwiatkowski, Taebo Sim and Nathanael S. Gray Publication Date (Web): March 18, 2018 (Letter)

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