MedKoo Cat#: 530494 | Name: GS-9901
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

GS-9901
GS-9901
CAS# 1640247-87-5

Theoretical Analysis

MedKoo Cat#: 530494

Name: GS-9901

CAS#: 1640247-87-5

Chemical Formula: C22H17ClFN9O

Exact Mass: 477.1229

Molecular Weight: 477.89

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 450.00 2 Weeks
10mg USD 850.00 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

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
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.