Products for Research Use Only
RegisterLogin

E-2101

CAT: 0804-HY-19379Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-19379Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
E-2101 is a novel antispastic agent. E-2101 is a competitive CYP2C19 and CYP2D6 inhibitor with Ki values of 15 and 48 μM, respectively. E-2101 is metabolized by Cytochromes P450 to form monohydroxylated (M1 and M2), dihydroxylated (M3), and N-dealkylated metabolites (M4) . E-2101 can be used in the research of skeletal muscle spasm[1].
CAS Number
265667-22-9
UNSPSC
12352005
Target
Cytochrome P450
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Smiles
O=C(NC)CC1=CC2=C(C=C1)C=CN2C3CCN(CCC4=CC=CC=C4F)CC3
Molecular Formula
C24H28FN3O
Molecular Weight
393.50
References & Citations
[1]Zhang ZY, et al. In vitro interactions between a potential muscle relaxant E2101 and human cytochromes P450. Drug Metab Dispos. 2002 Jul;30 (7) :805-13. |[2]Kushida, et al. Solid state characterization of E2101, a novel antispastic drug. J Pharm Sci. 2002 Oct;91 (10) :2193-202.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
CYP2

Chemical Information

1-(1-(2-(2-Fluorophenyl)ethyl)-4-piperidinyl)-N-methyl-1H-indole-6-acetamide
CAS Number265667-22-9
PubChem CID9908587
IUPAC Name2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
Molecular FormulaC24H28FN3O
Molecular Weight393.5
XLogP3.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity536
SMILES
CNC(=O)CC1=CC2=C(C=C1)C=CN2C3CCN(CC3)CCC4=CC=CC=C4F
InChI
InChI=1S/C24H28FN3O/c1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25/h2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29)
InChIKey
CQEOXWCXSBFJMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-(2-(2-Fluorophenyl)ethyl)-4-piperidinyl)-N-methyl-1H-indole-6-acetamide
CAS: 265667-22-9
CID: 9908587
Formula: C24H28FN3O
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass393.22164069
Monoisotopic Mass393.22164069
Topological Polar Surface Area37.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity536
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

Related Products

CatalogName
HY-P991293NN-2101
HY-172734FG-2101
HY-171798BAM-2101
HY-123269-01PKUMDL-WQ-2101
HY-128978(E, E) -RAMB4
HY-Y0248-01(E, ​E) ​-​Farnesol
HY-114770(E, E) -GLL398
HY-N0007-01(E, E) -Bisdemethoxycurcumin
HY-W019710-01(E, E) -RGFP966
HY-131520(E, E, E) -Farnesyl alcohol azide

Alternative Products

CatalogName
T206566-01FG-2101
MBS3844136-01S 2101
GTR19263722-01BAM-2101
574883S-2101
T9901A-1081-01NN-2101
EMA48172-01PKUMDL WQ 2101
A19683-50S 2101 50mg
BUP11117-01PKUMDL-WQ-2101
A19683-100S 2101 100mg
A19683-10S 2101 10mg

Popular Products