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NRX-0492

CAT: 0013-GTR19220588-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220588-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NRX-0492 is a potent, orally bioavailable BTK degrader that recruits the Cereblon E3 ligase to induce proteasomal degradation of BTK with sub-nanomolar DC50/DC90 values. This mechanism potently inhibits BCR signaling and related functions, making it a valuable tool for investigating BTK-dependent pathways in both cellular and animal models of B-cell malignancies and autoimmune diseases.
CAS Number
2416130-57-7
Field of Research
Cardiovascular Research, Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=C (C2) N4C[C@H] (CN5CCC (CC5) C6=CC=C (NC7=NC (=CN=C7C (N) =O) N8C[C@@H] (CCC8) N9CCN (C) C9=O) C=C6) CC4
Molecular Formula
C43H51N11O6
Molecular Weight
817.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-3-pyrrolidinyl]methyl]-4-piperidinyl]phenyl]amino]-5-[(3R)-3-(3-methyl-2-oxo-1-imidazolidinyl)-1-piperidinyl]-2-pyrazinecarboxamide
CAS Number2416130-57-7
PubChem CID146559024
IUPAC Name3-[4-[1-[[(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Molecular FormulaC43H51N11O6
Molecular Weight817.9
XLogP2.7
Topological Polar Surface Area198
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count60
Formal Charge0
Complexity1650
SMILES
CN1CCN(C1=O)[C@@H]2CCCN(C2)C3=CN=C(C(=N3)NC4=CC=C(C=C4)C5CCN(CC5)C[C@@H]6CCN(C6)C7=CC8=C(C=C7)C(=O)N(C8=O)C9CCC(=O)NC9=O)C(=O)N
InChI
InChI=1S/C43H51N11O6/c1-49-19-20-53(43(49)60)31-3-2-15-52(25-31)35-22-45-37(38(44)56)39(47-35)46-29-6-4-27(5-7-29)28-13-16-50(17-14-28)23-26-12-18-51(24-26)30-8-9-32-33(21-30)42(59)54(41(32)58)34-10-11-36(55)48-40(34)57/h4-9,21-22,26,28,31,34H,2-3,10-20,23-25H2,1H3,(H2,44,56)(H,46,47)(H,48,55,57)/t26-,31+,34?/m0/s1
InChIKey
WFDYOAWNEOGIPM-NJZOVTIDSA-N
Chemical Structure
2D Structure
2D structure of 3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-3-pyrrolidinyl]methyl]-4-piperidinyl]phenyl]amino]-5-[(3R)-3-(3-methyl-2-oxo-1-imidazolidinyl)-1-piperidinyl]-2-pyrazinecarboxamide
CAS: 2416130-57-7
CID: 146559024
Formula: C43H51N11O6
MW: 817.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight817.9
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass817.40237839
Monoisotopic Mass817.40237839
Topological Polar Surface Area198 Ų
Heavy Atom Count60
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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