Delgocitinib
- CAS No.
- 1263774-59-9
- Chemical Name:
- Delgocitinib
- Synonyms
- JTE052;JTE-052;LEO124249;LEO 124249;Delgocitinib;Delgocitinib(JTE-052);Corectim（Delgocitinib）;Delgocitinib (LEO124249;JTE052,Inhibitor,Janus kinase,inhibit,JAK,Delgocitinib,JTE 052;1,6-Diazaspiro[3.4]octane-1-propanenitrile, 3-methyl-β-oxo-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (3S,4R)-
- CBNumber:
- CB34667815
- Molecular Formula:
- C16H18N6O
- Molecular Weight:
- 310.35
- MDL Number:
- MFCD31630732
- MOL File:
- 1263774-59-9.mol
| Density | 1.41±0.1 g/cm3(Predicted) |
|---|---|
| storage temp. | Store at -20°C |
| solubility | DMSO:58.0(Max Conc. mg/mL);186.89(Max Conc. mM) |
| form | Solid |
| pka | -0.65±0.40(Predicted) |
| color | White to off-white |
| FDA UNII | 9L0Q8KK220 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
Delgocitinib price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| ChemScene | CS-0031558 | Delgocitinib 99.76% | 1263774-59-9 | 10mg | $1100 | 2021-12-16 | Buy |
| ChemScene | CS-0031558 | Delgocitinib 99.76% | 1263774-59-9 | 25mg | $2200 | 2021-12-16 | Buy |
| ChemScene | CS-0031558 | Delgocitinib 99.76% | 1263774-59-9 | 50mg | $3500 | 2021-12-16 | Buy |
| ChemScene | CS-0031558 | Delgocitinib 99.76% | 1263774-59-9 | 100mg | $5500 | 2021-12-16 | Buy |
| ChemScene | CS-0031558 | Delgocitinib 99.76% | 1263774-59-9 | 1mg | $210 | 2021-12-16 | Buy |
Delgocitinib Chemical Properties,Uses,Production
Characteristics
Class: non-receptor tyrosine kinase
Treatment: atopic dermatitis (topical ointment)
Protein binding = 22–29%
Definition
The lead compound to delgocitinib was tofacitinib, a potent pan-JAK inhibitor. To maintain the overall pan-JAK inhibition profile of tofacitinib, the pyrrolopyrimidine hinge binder, and the cyanoacetyl group were kept fixed. At the same time, the central aminopiperidine linker was replaced by a variety of spirocyclic scaffolds to maintain comparable binding patterns. This effort identified the three-dimensional diazaspiro[3.4]octane scaffold as the optimal linker, and further SAR studies led to delgocitinib, which demonstrates better selectivity against JAK3 compared to tofacitinib and its selectivity for the JAK family over LCK is also improved. Delgocitinib exhibits no significant inhibition of non-JAK kinases under 1 μM except ROCK2.
Definition
Delgocitinib is metabolically stable in both liver microsomes and hepatocytes across species (human, rat, dog, and monkey), and it is also not metabolized in human skin microsomes. It has favorable oral bioavailability in rats (78%) and dogs (124%). Following repeat topical application to the affected area twice daily with a maximum dose of 5 g per application, plasma levels of delgocitinib were detected in 12%, 16%, 14%, and 12% of the patients at week 4, 12, 28, and 52, respectively.
Definition
ChEBI: Delgocitinib is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor, an anti-inflammatory drug, an antipsoriatic and an antiseborrheic. It is a pyrrolopyrimidine, a tertiary amino compound, a nitrile, an azaspiro compound, a tertiary carboxamide and a N-acylazetidine.
Clinical Use
Delgocitinib is a pan-JAK inhibitor that inhibits all Janus Kinase (JAK) family members. Topical delgocitinib 0.5% ointment received its first approval in Japan in 2020 for treating adults with atopic dermatitis. The FDA has granted delgocitinib cream fast-track designation for chronic hand eczema.
Delgocitinib Preparation Products And Raw materials
Raw materials
Preparation Products
Delgocitinib Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Zhengzhou Alfa Chemical Co.,Ltd | +8618530059196 | sale04@alfachem.cn | China | 13069 | 58 |
| TargetMol Chemicals Inc. | +1-781-999-5354 +1-00000000000 | marketing@targetmol.com | United States | 19892 | 58 |
| HANGZHOU CLAP TECHNOLOGY CO.,LTD | 86-571-88216897,88216896 13588875226 | sales@hzclap.com | CHINA | 6313 | 58 |
| InvivoChem | +1-708-310-1919 +1-13798911105 | sales@invivochem.cn | United States | 6393 | 58 |
| Hangzhou MolCore BioPharmatech Co.,Ltd. | +86-057181025280; +8617767106207 | sales@molcore.com | China | 49739 | 58 |
| Nanjing Vcare PharmaTech Co., Ltd | 025-025-58741518 17366379912 | sales@vcarepharmatech.com | China | 470 | 58 |
| Nanjing Tianhai Pharmaceutical Technology Co., Ltd. | 025-58351158 13851454004 | 3494688757@qq.com | China | 144 | 58 |
| Shanghai Lollane Biological Technology Co.,Ltd. | 021-52996696，15000506266 15000506266 | China | 4252 | 55 | |
| Bayee Biotech (Anqing) Co., Ltd. | 0556-5032306 18917961636 | wtx@bayeebio.com | China | 252 | 61 |
| WUHAN SUN-SHINE BIO-TECHNOLOGY Co., Ltd. | 17702719238 17702719238 | sales@sun-shinechem.com | China | 922 | 64 |
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- Synthesis of Delgocitinib
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- Dec 26，2023