Deuruxolitinib information

Deuruxolitinib
Identifiers
	IUPAC name (3R)-3-(2,2,3,3,4,4,5,5-Octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;
CAS Number	1513883-39-0;
PubChem CID	72704611;
ChemSpider	115010950;
UNII	0CA0VSF91Y;
KEGG	D11866;
ChEMBL	ChEMBL4594381;
Chemical and physical data
Formula	C17H10D8N6
Molar mass	314.417 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES [2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)[2H];
	InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2; Key:HFNKQEVNSGCOJV-FBXGHSCESA-N;

Deuruxolitinib (CTP-543) is a Janus kinase inhibitor selective for JAK1 and JAK2. It is in development to treat alopecia areata.^[1] If approved the drug would compete with others with a similar mechanism of action developed by Eli Lilly and Pfizer.^[2]

Deuruxolitinib is a deuterated derivative of ruxolitinib.

^ King, Brett; Mesinkovska, Natasha; Mirmirani, Paradi; Bruce, Suzanne; Kempers, Steve; Guttman-Yassky, Emma; Roberts, Janet L.; McMichael, Amy; Colavincenzo, Maria; Hamilton, Colleen; Braman, Virginia; Cassella, James V. (August 2022). "Phase 2 randomized, dose-ranging trial of CTP-543, a selective Janus Kinase inhibitor, in moderate-to-severe alopecia areata". Journal of the American Academy of Dermatology. 87 (2): 306–313. doi:10.1016/j.jaad.2022.03.045. ISSN 1097-6787. PMID 35364216. S2CID 247866262.
^ Taylor, Nick Paul (2022-05-23). "Chasing Lilly and Pfizer, Concert's JAK inhibitor hits high notes in phase 3 alopecia trial". Fierce Biotech. Retrieved 2023-11-11.

[1] King, Brett; Mesinkovska, Natasha; Mirmirani, Paradi; Bruce, Suzanne; Kempers, Steve; Guttman-Yassky, Emma; Roberts, Janet L.; McMichael, Amy; Colavincenzo, Maria; Hamilton, Colleen; Braman, Virginia; Cassella, James V. (August 2022). "Phase 2 randomized, dose-ranging trial of CTP-543, a selective Janus Kinase inhibitor, in moderate-to-severe alopecia areata". Journal of the American Academy of Dermatology. 87 (2): 306–313. doi:10.1016/j.jaad.2022.03.045. ISSN 1097-6787. PMID 35364216. S2CID 247866262.

[Taylor_2022_f124-2] Taylor, Nick Paul (2022-05-23). "Chasing Lilly and Pfizer, Concert's JAK inhibitor hits high notes in phase 3 alopecia trial". Fierce Biotech. Retrieved 2023-11-11.

Identifiers

IUPAC name (3R)-3-(2,2,3,3,4,4,5,5-Octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CAS Number	1513883-39-0
PubChem CID	72704611
ChemSpider	115010950
UNII	0CA0VSF91Y
KEGG	D11866
ChEMBL	ChEMBL4594381
Chemical and physical data
Formula	C₁₇H₁₀D₈N₆
Molar mass	314.417 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES [2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)[2H]
InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2 Key:HFNKQEVNSGCOJV-FBXGHSCESA-N