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TAS4464

CAT: 0926-YYC95910-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-YYC95910-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1848959-10-3
Smiles
CCOC1=C (C (=CC=C1) F) C#CC2=CN (C3=NC=NC (=C23) N) C4C (C (C (O4) CNS (=O) (=O) N) O) O
Molecular Formula
C21H23FN6O6S
Molecular Weight
506.5 g/mol
Controlled
No

Chemical Information

Tas-4464

NEDD8 Activating Enzyme E1 Inhibitor TAS4464 is an inhibitor of NEDD8 (neural precursor cell expressed, developmentally down-regulated 8) activating enzyme E1 (NAE), with potential antineoplastic activity. Upon administration, TAS4464 selectively binds to and inhibits NAE, which prevents NAE/NEDD8-mediated signaling and prevents the NEDD8 conjugation of cullin-RING ligase complexes (CRLs). This inactivates the CRLs leading to an accumulation of CRL substrate proteins, such as CDT1, p27, p21 and phosphorylated IkappaB, and inactivates nuclear factor-kappaB (NF-kB) as well as downregulates anti-apoptotic proteins. This causes cell cycle dysregulation, induces apoptosis, and inhibits tumor cell proliferation and survival. NAE catalyzes the first step in the NEDD8 conjugation (neddylation) pathway which controls cancer cell growth and survival through activation of CRLs.

CAS Number1848959-10-3
PubChem CID124121703
IUPAC Name4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]-5-[2-(2-ethoxy-6-fluorophenyl)ethynyl]pyrrolo[2,3-d]pyrimidine
Molecular FormulaC21H23FN6O6S
Molecular Weight506.5
XLogP0.2
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity911
SMILES
CCOC1=C(C(=CC=C1)F)C#CC2=CN(C3=NC=NC(=C23)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)N)O)O
InChI
InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1
InChIKey
TZTRUHFXPVXWRD-QTQZEZTPSA-N
Chemical Structure
2D Structure
2D structure of Tas-4464
CAS: 1848959-10-3
CID: 124121703
Formula: C21H23FN6O6S
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP30.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass506.13838181
Monoisotopic Mass506.13838181
Topological Polar Surface Area196 Ų
Heavy Atom Count35
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T13090L-01TAS4464
A18485-50TAS4464 50mg
GTR19216907-01TAS4464 hydrochloride
HY-128586A-01TAS4464 (hydrochloride)
A18485-25TAS4464 25mg
A18485-10TAS4464 10mg
A18485-5TAS4464 5mg

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