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BIIB068

CAT: 0013-GTR19155685-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155685-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BIIB068 is an selective, reversible and orally active BTK inhibitor (IC50 = 1 nM, Kd = 0.3 nM) . BIIB068 is 400 times more selective for BTK than other kinases.
CAS Number
1798787-27-5
Purity
>98% (HPLC)
Solubility
DMSO:30mg/ml (68.88mM; Need ultrasonic)
Smiles
O=C (N1CC (OC (C) C) C1) NCC2=CC=C (C3=NC (NC4=CN (C) N=C4) =NC=C3) C=C2C
Molecular Formula
C23H29N7O2
Molecular Weight
435.52
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Biib-068
CAS Number1798787-27-5
PubChem CID118139356
IUPAC NameN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
Molecular FormulaC23H29N7O2
Molecular Weight435.5
XLogP2
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity615
SMILES
CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CN(N=C3)C)CNC(=O)N4CC(C4)OC(C)C
InChI
InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)
InChIKey
BMWMKGNVAMXXCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Biib-068
CAS: 1798787-27-5
CID: 118139356
Formula: C23H29N7O2
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass435.23827319
Monoisotopic Mass435.23827319
Topological Polar Surface Area97.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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