CAL-101 (GS-1101)

Alternative_name

5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone; Idealisib
Description

CAL-101 is a cell-permeable inhibitor of the PI3K catalytic subunit p110δ (IC₅₀ = 2.5 nM) that displays 40- to 300-fold selectivity against other PI3K class I enzymes (IC₅₀s = 820, 565, and 89 nM for p110α, β, and γ, respectively). It has also been shown to inhibit the chemotaxis of chronic lymphocytic leukemia cells and to downregulate the secretion of chemokines triggered by B-cell receptor signaling.
CAS Number

870281-82-6
Structure Available

Y
Salt Form

No
Molecular Formula

C₂₂H₁₈FN₇O
Molecular Weight

415.42
Cell Permeable

Yes
Purity

>98% by HPLC
Solubilities

DMSO(~ 25 mg/ml) or EtOH (~ 15 mg/ml)
Handling

Protect from air and light
Tag Line

A potent PI3K p110δ inhibitor
Storage Condition

-20 ̊C
Shipping Condition

Gel pack
Shelf Life

36 months
PubChem CID

11625818
PubChem CID Link
SMILES

CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
InChi

InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
InChi Key

IFSDAJWBUCMOAH-HNNXBMFYSA-N
Data Sheet Link
MSDS Available

Yes

Identity

HGNC:51
Gene

ABCC1
Long gene name

ATP binding cassette subfamily C member 1
Synonyms gene
- MRP
- MRP1
Synonyms gene name
- multidrug resistance associated protein 1
- ATP-binding cassette, sub-family C (CFTR/MRP), member 1
Synonyms
- GS-X
Synonyms name
- glutathione S-conjugate export pump
GenBank acession
- L05628
Locus

16p13.11
Discovery year

1993-06-29
Entrez gene record

4363
Pubmed identfication
- 8098549
- 1360704
RefSeq identity
- NM_004996
Classification
- ATP binding cassette subfamily C
VEGA ID

OTTHUMG00000048267