GS-9901
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MedKoo CAT#: 530494

CAS#: 1640247-87-5

Description: GS-9901 is a potent, orally active and highly selective inhibitor of PI3Kδ (PI3Kdelta IC50 = 1.0nM, HWB delta EC50 = 1.5 nM; CLpr hHep = 0.05 L/h/kg.). GS-9901 displays an excellent pharmacokinetic profile and is efficacious in a rodent model of rheumatoid arthritis. GS-9901 demonstrates efficacy in a rat model of arthritis and is predicted to be suitable for q.d. dosing in humans. The favorable in vitro and in vivo attributes of GS-9901 resulted in its selection as a development candidate.

Chemical Structure

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GS-9901
CAS# 1640247-87-5
Instruction

Theoretical Analysis

MedKoo Cat#: 530494
Name: GS-9901
CAS#: 1640247-87-5
Chemical Formula: C22H17ClFN9O
Exact Mass: 477.12
Molecular Weight: 477.888
Elemental Analysis: C, 55.29; H, 3.59; Cl, 7.42; F, 3.98; N, 26.38; O, 3.35

Price and Availability

Size Price Availability Quantity
5mg USD 405 2 Weeks
10mg USD 725 2 Weeks
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Related CAS #: 1640247-87-5 (GS-9901)   1640248-45-8 (GS-9901 R-isomer)  

Synonym: GS-9901; GS 9901; GS9901.

IUPAC/Chemical Name: (S)-2,4-diamino-6-(((5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl)(cyclopropyl)methyl)amino)pyrimidine-5-carbonitrile

InChi Key: XDSXYMOZKDUASY-INIZCTEOSA-N

InChi Code: InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1

SMILES Code: N#CC1=C(N)N=C(N)N=C1N[C@@H](C2CC2)C(N3C4=CC=CN=C4)=NC5=C(C(Cl)=CC=C5F)C3=O

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: >2 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 477.89 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:
In vitro protocol:
In vivo protocol:

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1: Patel L, Chandrasekhar J, Evarts J, Forseth K, Haran AC, Ip C, Kashishian A, Kim M, Koditek D, Koppenol S, Lad L, Lepist EI, McGrath ME, Perreault S, Puri KD, Villaseñor AG, Somoza JR, Steiner BH, Therrien J, Treiberg J, Phillips G. Discovery of Orally Efficacious Phosphoinositide 3-Kinase δ Inhibitors with Improved Metabolic Stability. J Med Chem. 2016 Oct 3. [Epub ahead of print] PubMed PMID: 27660855.