Products for Research Use Only
RegisterLogin

LB42908

CAT: 0931-T69710-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T69710-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
226927-89-5
Target
Others, Transferase
Related Pathways
Others, Metabolism
Bioactivity
LB42908 is a highly potent Ras farnesyltransferase inhibitor (IC (50) =0.9 nM against H-Ras and 2.4 nM against K-Ras) with potential anticancer activity.
Smiles
C(=O)(C=1C(=CN(CC=2N(CC=3C=C4C(=CC3)OCO4)C=NC2)C1)C=5C6=C(C=CC5)C=CC=C6)N7CCN(C)CC7
Molecular Formula
C32H31N5O3
Molecular Weight
533.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LB-42908

LB42908 is a member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity. It has a role as an antineoplastic agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor and an apoptosis inducer. It is a member of imidazoles, a member of naphthalenes, a benzodioxole, a N-acylpiperazine, a N-methylpiperazine and a pyrrolecarboxamide.

CAS Number226927-89-5
PubChem CID91623355
IUPAC Name[1-[[3-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
Molecular FormulaC32H33N5O3
Molecular Weight535.6
XLogP2.6
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity964
SMILES
CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC7C(C=C6)OCO7
InChI
InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3
InChIKey
VZWZHIJGBPHRDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LB-42908
CAS: 226927-89-5
CID: 91623355
Formula: C32H33N5O3
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass535.25833993
Monoisotopic Mass535.25833993
Topological Polar Surface Area64.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2678-01LB42708

Alternative Products

CatalogName
MBS5812255LB42908

Popular Products