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Enzyme Inhibitors

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TX1-85-1

AOB6001

CAS No: 1603845-32-4

 

Chemical Name: TX-85-1; N-(5-(1-(4-(4-Acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-phenoxyphenyl)acrylamide

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Quantity Discount Table - Order More To Get More Price Discount

QuantitymgUnit Price ($/mg or $/Unit)Final Price
1100 $12.15 Total: $1,215.00
150 $14.04 Total: $702.00
125 $16.47 Total: $411.75
110 $19.44 Total: $194.40
15 $22.95 Total: $114.75

Data sheet

Molecular FormulaC32H36N8O3
Molecular Weight580.69
CAS Numbers1603845-32-4
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
IUPAC/Chemical NameN-(5-(1-(4-(4-Acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-phenoxyphenyl)acrylamide
InChl KeyFYICDSWKKFSYOM-UHFFFAOYSA-N
InChl CodeInChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)
SMILES CodeC=CC(NC1=CC(C2=NN(C3CCC(N4CCN(C(C)=O)CC4)CC3)C5=NC=NC(N)=C52)=CC=C1OC6=CC=CC=C6)=O
References1) Lim SM, Xie T, Westover KD, Ficarro SB, Tae HS, Gurbani D, Sim T, Marto JA, Jänne PA, Crews CM, Gray NS. Development of small molecules targeting the pseudokinase Her3. Bioorg Med Chem Lett. 2015 Aug 15;25(16):3382-9.

2) Xie T, Lim SM, Westover KD, Dodge ME, Ercan D, Ficarro SB, Udayakumar D, Gurbani D, Tae HS, Riddle SM, Sim T, Marto JA, Jänne PA, Crews CM, Gray NS. Pharmacological targeting of the pseudokinase Her3. Nat Chem Biol. 2014 Dec;10(12):1006-12

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The first selective Her3 ligand, formpng a covalent bond with Cys721 located in the ATP-binding site of Her3.

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