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M2698

CAT: 0931-T11928-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11928-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1379545-95-5
Target
MTOR, Akt, S6 Kinase
Related Pathways
Cytoskeletal Signaling, MAPK, PI3K/Akt/mTOR signaling
Purity
0.9988
Bioactivity
M2698 (MSC2363318A) is an inhibitor of p70S6K, Akt1 and Akt3 with IC50s of 1 nM. M2698 shows anti-cancer activity.
Smiles
N([C@H](CN1CCC1)C2=CC(C(F)(F)F)=C(Cl)C=C2)C=3C4=C(C(C(N)=O)=CC=C4)N=CN3
Molecular Formula
C21H19ClF3N5O
Molecular Weight
449.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

M-2698

M-2698 is under investigation in clinical trial NCT01971515 (First-in-Human Dose Escalation Trial in Subjects With Advanced Malignancies).

CAS Number1379545-95-5
PubChem CID89808643
IUPAC Name4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
Molecular FormulaC21H19ClF3N5O
Molecular Weight449.9
XLogP3.9
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity635
SMILES
C1CN(C1)C[C@H](C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N
InChI
InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1
InChIKey
HXAUJHZZPCBFPN-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of M-2698
CAS: 1379545-95-5
CID: 89808643
Formula: C21H19ClF3N5O
MW: 449.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.9
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass449.1230224
Monoisotopic Mass449.1230224
Topological Polar Surface Area84.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6543-10M2698
HY-100501RM2698 (Standard)
407496M2698 free base

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