Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01355)
Name
Pralsetinib
Synonyms    Click to Show/Hide the Synonyms of This API
Pralsetinib; BLU-667; 2097132-94-8; Blu667; trans-Pralsetinib; Pralsetinib free base; UNII-1WPE73O1WV; 1WPE73O1WV; BLU123244; 2097132-94-8 (free base); X581238; cis-Pralsetinib; cis-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; Gavreto; Cyclohexanecarboxamide, N-((1S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)-, cis-; cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-; Pralsetinib [INN]; Pralsetinib [USAN]; Pralsetinib (USAN/INN); BLU-667 (Pralsetinib); CHEMBL4582651; SCHEMBL18789228; SCHEMBL18789229; SCHEMBL18806610; GTPL10033; BDBM435009; BDBM435010; 2097132-93-7; AMY16875; EX-A1944; EX-A3347; NSC811429; s8716; US10584114, Compound 129; US10584114, Compound 130; WHO 11004; BLU-123244; HY-112301A; NSC-811429; BS-15942; HY-112301; CS-0043448; CS-0044766; D11712; X-581238; (cis)-N-((S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-yl)cyclohexanecarboxamide; BLU-667; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide
Clinical Status
Approved
PubChem CID
129073603
Formula
C27H32FN9O2
Canonical SMILES
CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC
InChI
1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19?,27?/m0/s1
InChIKey
GBLBJPZSROAGMF-SIYOEGHHSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=129073603"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 533.6 Topological Polar Surface Area 136
XlogP 3.1 Complexity 816
Heavy Atom Count 39 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Pralsetinib 100 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Citric Acid; Hydroxypropyl Methylcellulose (Hpmc); Magnesium Stearate; Microcrystalline Cellulose (Mcc); Pregelatinized Starch; Sodium Bicarbonate; Fd&C Blue 1 (Brilliant Blue Fcf); Hypromellose; Titanium Dioxide; Butyl Alcohol; Dehydrated Alcohol; Isopropyl Alcohol; Potassium Hydroxide; Propylene Glycol; Purified Water; Shellac; Strong Ammonia Solution; Titanium Dioxide
                   Dosage Form Capsule
                   Company Blueprint Medicines Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [1]
Isopropyl alcohol DIG Info Lymphoma P388/ADR cells (IC50 = 0.22 uM) [2]
Food blue 1 aluminum lake DIG Info Leukemia MT4 cells (IC50 = 1288.25 nM) [3]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [4]
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [5]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [6]
Pregelatinized starch DIG Info Multidrug resistance protein 1 (Protein expression downregulation) [6]
References
1 PubChem BioAssay data set.
2 Synthesis and evaluation of dihydropyrroloquinolines that selectively antagonize P-glycoprotein. J Med Chem. 2004 Mar 11; 47(6):1413-22.
3 Synthesis and structure-activity relationship studies of CD4 down-modulating cyclotriazadisulfonamide (CADA) analogues. J Med Chem. 2006 Feb 23; 49(4):1291-312.
4 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
5 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
6 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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