ABT-102

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N4O
Molecular Weight	348.4415
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4

InChI

InChIKey=TYOYXJNGINZFET-GOSISDBHSA-N

InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N4O
Molecular Weight	348.4415
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18183945

ABT-102 is a selective antagonist of transient receptor potential vanilloid type 1 (TRPV1), designed for the treatment of nociceptive pain. ABT-102 potently blocks multiple modes of TRPV1 receptor activation and effectively attenuates downstream consequences of receptor activity.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vanilloid receptor 53 Target ID: CHEMBL4794 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18515644	Antagonist 2778		5.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Nociceptive pain 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27206143	Primary		Phase I 428	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
31.6 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	8 mg 2 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
73.4 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

AUC

Value	Dose	Co-administered	Analyte	Population
487 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	8 mg 2 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
1180 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

T_1/2

Value	Dose	Co-administered	Analyte	Population
10 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	8 mg 2 times / day multiple, oral dose: 8 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED
11 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/21566201	40 mg single, oral dose: 40 mg route of administration: Oral experiment type: SINGLE co-administered:		ABT-102 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

Sourcing

Vendor/Aggregator	ID	URL
Axon MedChem	1504	https://www.axonmedchem.com/product/1504
BOC Sciences	808756-71-0	http://www.bocsci.com/description.asp?cas=808756-71-0
Debye Scientific	DB-014690	https://www.debyesci.com/index.php?id=product&ext[cno]=DB-014690
MolPort	MolPort-042-665-701	https://www.molport.com/shop/molecule-link/MolPort-042-665-701
MuseChem	I000742	https://www.musechem.com/product/I000742.html
Norris Pharm	NSZB-A251750
eMolecules	275055319	https://orderbb.emolecules.com/search/#?query=275055319
eMolecules	300547284	https://orderbb.emolecules.com/search/#?query=300547284
eMolecules	36367119	https://orderbb.emolecules.com/search/#?query=36367119

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

a single-dose study (2, 6, 18, 30, and 40 mg) and a multiple-dose study (2, 4, and 8 mg twice daily for 7 days) using a solution formulation and a multiple-dose study (1, 2, and 4 mg twice daily for 7 days) using a solid-dispersion formulation.

Route of Administration: Oral

In Vitro Use Guide

At the recombinant human transient receptor potential vanilloid (TRPV1) receptor ABT-102 potently (IC(50) = 5-7 nM) inhibits agonist (capsaicin, N-arachidonyl dopamine, anandamide, and proton)-evoked increases in intracellular Ca(2+) levels. ABT-102 also potently (IC(50) = 1-16 nM) inhibits capsaicin-evoked currents in rat dorsal root ganglion (DRG) neurons and currents evoked through activation of recombinant rat TRPV1 currents by capsaicin, protons, or heat.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:04:48 GMT 2023` Edited by `admin` on `Fri Dec 15 16:04:48 GMT 2023`
Record UNII	J0YBN3USJN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-102

Common Name

English

(R)-1-(5-TERT-BUTYL-INDAN-1-YL)-3-(1H-INDAZOL-4-YL)-UREA

Systematic Name

English

UREA, N-((1R)-5-(1,1-DIMETHYLETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-N'-1H-INDAZOL-4-YL-

Systematic Name

English

Code System Code Type Description

FDA UNII

J0YBN3USJN