| Identification | Back Directory | [Name]
2-Propyn-1-one, 1-[(3S)-3-(3,4-dichlorophenyl)-1-piperidinyl]-3-[(3R)-1-(methylsulfonyl)-3-pyrrolidinyl]- | [CAS]
2875046-27-6 | [Synonyms]
2-Propyn-1-one, 1-[(3S)-3-(3,4-dichlorophenyl)-1-piperidinyl]-3-[(3R)-1-(methylsulfonyl)-3-pyrrolidinyl]- | [Molecular Formula]
C19H22Cl2N2O3S | [MOL File]
2875046-27-6.mol | [Molecular Weight]
429.36 |
| Chemical Properties | Back Directory | [Boiling point ]
570.2±60.0 °C(Predicted) | [density ]
1.42±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
-2.23±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
VVD-118313 (compound 5a) is a potent, selective JAK1 inhibitor. VVD-118313 targets an isoform-restricted allosteric cysteine to block JAK1-dependent trans-phosphorylation and cytokine signaling. VVD-118313 can be used for research of cancer[1]. VVD-118313 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. | [in vivo]
VVD-118313 (compound 5a; 25-50 mg/kg; i.h.; once) inhibits JAK1 signaling in TYK2 knockout mice[1]. | Animal Model: | TYK2 knockout mice[1] | | Dosage: | 25 and 50 mg/kg | | Administration: | Subcutaneous injection; once | | Result: | Revealed 75% engagement of JAK1_C816 at 25 and 50 mg/kg, while other JAK1 cysteines were unaffected in reactivity. |
| [IC 50]
JAK1 | [References]
[1] Kavanagh ME, et, al. Selective inhibitors of JAK1 targeting an isoform-restricted allosteric cysteine. Nat Chem Biol. 2022 Sep 12. DOI:10.1038/s41589-022-01098-0 |
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