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MedKoo Cat#: 581213 | Name: Dacomitinib metabolite M2

Description:

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

Dacomitinib metabolite M2 is also known as Dacomitinib cysteine conjugate. Dacomitinib is second-generation EGFR TKI designed to inhibit both the wild-type (WT) EGFR and EGFR T790M. Dacomitinib can be used in lung cancer.

Chemical Structure

Dacomitinib metabolite M2
Dacomitinib metabolite M2
CAS#1262034-38-7

Theoretical Analysis

MedKoo Cat#: 581213

Name: Dacomitinib metabolite M2

CAS#: 1262034-38-7

Chemical Formula: C27H32ClFN6O4S

Exact Mass: 590.1878

Molecular Weight: 591.10

Elemental Analysis: C, 54.86; H, 5.46; Cl, 6.00; F, 3.21; N, 14.22; O, 10.83; S, 5.42

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1110813-31-4 (free) 1042385-75-0 (hydrate) 1262034-38-7
Synonym
Dacomitinib metabolite M2; UNII-SOA52D3NLL; Dacomitinib cysteine conjugate;
IUPAC/Chemical Name
L-Cysteine, S-(3-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)amino)-3-oxo-1-(1-piperidinylmethyl)propyl)-
InChi Key
JACXJKYDLZNKQS-LFABVHOISA-N
InChi Code
InChI=1S/C27H32ClFN6O4S/c1-39-24-12-22-18(26(32-15-31-22)33-16-5-6-20(29)19(28)9-16)11-23(24)34-25(36)10-17(40-14-21(30)27(37)38)13-35-7-3-2-4-8-35/h5-6,9,11-12,15,17,21H,2-4,7-8,10,13-14,30H2,1H3,(H,34,36)(H,37,38)(H,31,32,33)/t17?,21-/m0/s1
SMILES Code
N[C@@H](CSC(CN1CCCCC1)CC(NC2=CC3=C(NC4=CC=C(F)C(Cl)=C4)N=CN=C3C=C2OC)=O)C(O)=O
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 591.10 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
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