Products for Research Use Only
RegisterLogin

Dacomitinib metabolite M2

CAT: 0013-GTR19225301-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19225301-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Dacomitinib metabolite M2, also identified as the dacomitinib cysteine conjugate, is a potent inhibitor of both wild-type EGFR and the T790M mutant. This small molecule is used in biochemical and cellular research to study EGFR-driven signaling pathways and resistance mechanisms in vitro.
CAS Number
1262034-38-7
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
N (C=1C2=C (C=C (OC) C (NC (CC (CN3CCCCC3) SC[C@@H] (C (O) =O) N) =O) =C2) N=CN1) C4=CC (Cl) =C (F) C=C4
Molecular Formula
C27H32ClFN6O4S
Molecular Weight
591.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dacomitinib metabolite M2
CAS Number1262034-38-7
PubChem CID119058027
IUPAC Name(2R)-2-amino-3-[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxo-1-piperidin-1-ylbutan-2-yl]sulfanylpropanoic acid
Molecular FormulaC27H32ClFN6O4S
Molecular Weight591.1
XLogP1.2
Topological Polar Surface Area168
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity830
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)CC(CN4CCCCC4)SC[C@@H](C(=O)O)N
InChI
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
InChIKey
JACXJKYDLZNKQS-LFABVHOISA-N
Chemical Structure
2D Structure
2D structure of Dacomitinib metabolite M2
CAS: 1262034-38-7
CID: 119058027
Formula: C27H32ClFN6O4S
MW: 591.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.1
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass590.1878306
Monoisotopic Mass590.1878306
Topological Polar Surface Area168 Ų
Heavy Atom Count40
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19274886-01Oltipraz metabolite M2
GTR19163648-01Dacomitinib
GTR19173844-01Dacomitinib
GTR19173515-01Dacomitinib hydrate
GTR19156508-01Dacomitinib hydrate
GTR19280867-01Dacomitinib impurity 1
GTR19280930-01Dacomitinib impurity 14
GTR19280815-01Dacomitinib impurity 12
GTR19280625-01Dacomitinib impurity 13
GTR19280620-01Dacomitinib impurity 3

Alternative Products

CatalogName
T23950-01Dacomitinib metabolite M2
HY-167948Dacomitinib metabolite M1/2
T2483-01Dacomitinib

Popular Products