Metabolites

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Nuclear Receptor Ligands
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Biomarkers and Buffer Solutions
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JH-XI-10-02

Cat No: AOB17837

Condition

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

Quantity	mg	Unit Price ($/mg or $/Unit)	Final Price
1	5	$80.75	Total: $403.75
1	10	$68.40	Total: $684.00
1	25	$57.95	Total: $1,448.75
1	50	$49.40	Total: $2,470.00
1	100	$42.75	Total: $4,275.00

Data sheet

Molecular Formula	C53H69N5O9
Molecular Weight	920.16
CAS Numbers	2209085-22-1
Storage Condition	0°C (short term), -20°C (long term), desiccated
Solubility	DMSO
Purity	98% by HPLC
Synonym	JH-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 Name	1-((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 Key	JECHBTRAPARMGI-IBMRIUJRSA-N
InChl Code	InChI=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 Code	O=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
References	1) 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)