ChemicalBook > CAS DataBase List > 1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-

1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-

Product Name
1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-
CAS No.
2320462-65-3
Chemical Name
1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-
Synonyms
HPK1-IN-7;HPK1-IN-7, 10 mM in DMSO;HPK1 IN 7,MC38,Inhibitor,PD1,HPK1IN7,tumor,model,oral,selectivity,HPK-1-IN-7,MAP4K,inhibit,MAPK Kinase Kinase Kinase;1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-
CBNumber
CB28236760
Molecular Formula
C24H22N6O4
Formula Weight
458.47
MOL File
2320462-65-3.mol
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1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl- Property

Boiling point:
754.3±70.0 °C(Predicted)
Density 
1.404±0.06 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMSO : 125 mg/mL (272.65 mM; Need ultrasonic)
pka
14.22±0.10(Predicted)
form 
Solid
color 
White to off-white
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Ambeed
Product number
A1378139
Product name
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)amino)-3,3-dimethylisobenzofuran-1(3H)-one
Purity
97%
Packaging
10mg
Price
$139
Updated
2021/12/16
Ambeed
Product number
A1378139
Product name
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)amino)-3,3-dimethylisobenzofuran-1(3H)-one
Purity
97%
Packaging
25mg
Price
$217
Updated
2021/12/16
Ambeed
Product number
A1378139
Product name
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)amino)-3,3-dimethylisobenzofuran-1(3H)-one
Purity
97%
Packaging
50mg
Price
$344
Updated
2021/12/16
Ambeed
Product number
A1378139
Product name
(S)-5-((4-((2-Hydroxy-1-phenylethyl)amino)-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)amino)-3,3-dimethylisobenzofuran-1(3H)-one
Purity
97%
Packaging
100mg
Price
$510
Updated
2021/12/16
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1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl- Chemical Properties,Usage,Production

Uses

HPK1-IN-7 is a potent, orally active HPK1 (hematopoietic progenitor kinase 1, MAP4K1) inhibitor (IC50=2.6 nM) with excellent family and kinome selectivity. HPK1-IN-7 shows selectivity against IRAK4 (59 nM) and GLK (140 nM). HPK1-IN-7 shows robust efficacy against MC38 syngeneic tumor model in combination with anti-PD1[1].

in vivo

HPK1-IN-7 (100 mg/kg; p.o.; twice daily for 28 days) shows robust enhancement of anti-PD1 efficacy in a syngeneic tumor model of colorectal cancer[1].
HPK1-IN-7 (compound 24) (1 mg/kg; intravenous; mice) is characterized by moderate plasma clearance (43 mL/min/kg) and a large volume of distribution (4.4 L/kg). After oral administration (20 mg/kg), the Cmax was 5.3 μM and the AUC0-24h was 19 μMh. The calculated oral bioavailability based on these pharmacokinetics studies is approximately 100%[1].

Animal Model:Mice (MC38 syngeneic tumor model)[1]
Dosage:100 mg/kg
Administration:Oral; twice daily for 28 days
Result:Enhanced the efficacy of anti-PD1 treatment, garnering a 100% cure rate vs a 20% cure rate with anti-PD1 alone.

IC 50

HPK1: 2.6 nM (IC50); GLK/MAP4K3: 140 nM (IC50); IRAK4: 59 nM (IC50); Fms/CSFR: 3.2 nM (IC50); FLT3: 25.4 nM (IC50); AMPKA1: 44.3 nM (IC50); cKIT: 45.7 nM (IC50); MST1: 55.1 nM (IC50); ICK: 65.1 nM (IC50); MST2: 78.5 nM (IC50)

References

[1] Degnan AP, et al. Discovery of Orally Active Isofuranones as Potent, Selective Inhibitors of Hematopoetic Progenitor Kinase 1. ACS Med Chem Lett. 2021;12(3):443-450. Published 2021 Feb 19. DOI:10.1021/acsmedchemlett.0c00660

1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl- Preparation Products And Raw materials

Raw materials

Preparation Products

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1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl- Suppliers

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2320462-65-3, 1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-Related Search:


  • 1(3H)-Isobenzofuranone, 5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyrimidinyl]amino]-3,3-dimethyl-
  • HPK1-IN-7
  • HPK1 IN 7,MC38,Inhibitor,PD1,HPK1IN7,tumor,model,oral,selectivity,HPK-1-IN-7,MAP4K,inhibit,MAPK Kinase Kinase Kinase
  • HPK1-IN-7, 10 mM in DMSO
  • 2320462-65-3