Dacomitinib metabolite M2

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MedKoo CAT#: 581213

CAS#: 1262034-38-7

Description: 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

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Dacomitinib metabolite M2
CAS# 1262034-38-7
Instruction

Theoretical Analysis

MedKoo Cat#: 581213
Name: Dacomitinib metabolite M2
CAS#: 1262034-38-7
Chemical Formula: C27H32ClFN6O4S
Exact Mass: 590.19
Molecular Weight: 591.100
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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