MedKoo Cat#: 128402 | Name: HEMTAC 26
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

HEMTAC 26, also named as HEMTAC CDK4/6 degrader 1, is a PROTAC connected by ligands for HSP90 and CDK4/6 with a Kd value of 35.7 μM.

Chemical Structure

HEMTAC 26
HEMTAC 26
CAS#2821803-61-4

Theoretical Analysis

MedKoo Cat#: 128402

Name: HEMTAC 26

CAS#: 2821803-61-4

Chemical Formula: C48H53ClN16O4

Exact Mass: 952.4124

Molecular Weight: 953.51

Elemental Analysis: C, 60.46; H, 5.60; Cl, 3.72; N, 23.50; O, 6.71

Price and Availability

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5mg USD 650.00 2 Weeks
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Related CAS #
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Synonym
HEMTAC CDK4/6 degrader 1; HEMTAC 26;
IUPAC/Chemical Name
2-(4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazin-1-yl)-N-((1-(4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-yn-1-yl)-1H-1,2,3-triazol-4-yl)methyl)acetamide
InChi Key
VSAXVERDPZMCPX-UHFFFAOYSA-N
InChi Code
InChI=1S/C48H53ClN16O4/c1-28-20-51-37(30(3)42(28)69-5)26-63-24-32(41-43(49)56-47(50)57-45(41)63)10-8-9-15-64-25-33(59-60-64)21-53-39(67)27-61-16-18-62(19-17-61)35-13-14-38(52-22-35)55-48-54-23-36-29(2)40(31(4)66)46(68)65(44(36)58-48)34-11-6-7-12-34/h13-14,20,22-25,34H,6-7,9,11-12,15-19,21,26-27H2,1-5H3,(H,53,67)(H2,50,56,57)(H,52,54,55,58)
SMILES Code
ClC1=C2C(N(C=C2C#CCCN3C=C(N=N3)CNC(CN4CCN(C5=CN=C(C=C5)NC6=NC=C(C7=N6)C(C)=C(C(N7C8CCCC8)=O)C(C)=O)CC4)=O)CC9=NC=C(C(OC)=C9C)C)=NC(N)=N1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 953.51 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Li Z, Ma S, Zhang L, Zhang S, Ma Z, Du L, Li M. Targeted Protein Degradation Induced by HEMTACs Based on HSP90. J Med Chem. 2023 Jan 12;66(1):733-751. doi: 10.1021/acs.jmedchem.2c01648. Epub 2022 Dec 27. PMID: 36574496.