GDC-046
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MedKoo CAT#: 462321

CAS#: 1258292-64-6

Description: GDC-046 is a potent, selective, and orally bioavailable TYK2 inhibitor for TYK2, JAK1, JAK2, and JAK3, respectively.


Chemical Structure

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GDC-046
CAS# 1258292-64-6

Theoretical Analysis

MedKoo Cat#: 462321
Name: GDC-046
CAS#: 1258292-64-6
Chemical Formula: C16H13Cl2N3O2
Exact Mass: 349.04
Molecular Weight: 350.199
Elemental Analysis: C, 54.88; H, 3.74; Cl, 20.25; N, 12.00; O, 9.14

Price and Availability

Size Price Availability Quantity
25mg USD 250 2 Weeks
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2450 2 Weeks
1g USD 3650 2 Weeks
2g USD 5650 2 Weeks
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Synonym: GDC-046; GDC 046; GDC046

IUPAC/Chemical Name: 2,6-dichloro-N-(2-(cyclopropanecarboxamido)pyridin-4-yl)benzamide

InChi Key: IAFNAEGXTKTGHN-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)

SMILES Code: O=C(NC1=CC(NC(C2CC2)=O)=NC=C1)C3=C(Cl)C=CC=C3Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Biological target: GDC-046 is a potent, selective, and orally bioavailable TYK2 inhibitor with Kis of 4.8, 0.7, 0.7, and 0.4 nM for TYK2, JAK1, JAK2, and JAK3, respectively.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 66.3 189.18
Ethanol 35.0 99.94

Preparing Stock Solutions

The following data is based on the product molecular weight 350.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Liang J, van Abbema A, Balazs M, et al. Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors. J Med Chem. 2013;56(11):4521-4536. doi:10.1021/jm400266t