Nilotinib hydrochloride dihydrate

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MedKoo CAT#: 578181

CAS#: 923289-71-8 (hydrochloride dihydrate)

Description: Nilotinib hydrochloride dihydrate is a small-molecule tyrosine kinase inhibitor approved for the treatment of imatinib-resistant chronic myelogenous leukemia.

Chemical Structure

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Nilotinib hydrochloride dihydrate
CAS# 923289-71-8 (hydrochloride dihydrate)
Instruction

Theoretical Analysis

MedKoo Cat#: 578181
Name: Nilotinib hydrochloride dihydrate
CAS#: 923289-71-8 (hydrochloride dihydrate)
Chemical Formula: C28H27ClF3N7O3
Exact Mass: 601.18
Molecular Weight: 602.020
Elemental Analysis: C, 55.86; H, 4.52; Cl, 5.89; F, 9.47; N, 16.29; O, 7.97

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 923288-90-8 (HCl hydrate)   923288-95-3 (HCl)   641571-10-0 (free base)   923289-71-8 (hydrochloride dihydrate)   1277165-20-4 (dihydrochloride dihydrate)  

Synonym: Nilotinib hydrochloride dihydrate; Nilotinib HCl dihydrate

IUPAC/Chemical Name: Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-, hydrochloride, hydrate (1:1:2)

InChi Key: SDOLNFCUZATHSO-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H22F3N7O.ClH.2H2O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H;2*1H2

SMILES Code: O.O.Cl.Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 602.02 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Breccia M, Arboscello E, Bellodi A, Colafigli G, Molica M, Bergamaschi M, Massaro F, Quattrocchi L, Sarocchi M, Spallarossa P, Alimena G. Proposal for a tailored stratification at baseline and monitoring of cardiovascular effects during follow-up in chronic phase chronic myeloid leukemia patients treated with nilotinib frontline. Crit Rev Oncol Hematol. 2016 Nov;107:190-198. doi: 10.1016/j.critrevonc.2016.10.002. Review. PubMed PMID: 27823647.

2: Fujimi A, Sakamoto H, Kanisawa Y, Minami S, Nagamachi Y, Yamauchi N, Ibata S, Kato J. Pneumatosis intestinalis during chemotherapy with nilotinib in a patient with chronic myeloid leukemia who tested positive for anti-topoisomerase I antibodies. Clin J Gastroenterol. 2016 Dec;9(6):358-364. Review. PubMed PMID: 27638345.

3: Emole J, Talabi T, Pinilla-Ibarz J. Update on the management of Philadelphia chromosome positive chronic myelogenous leukemia: role of nilotinib. Biologics. 2016 Feb 26;10:23-31. doi: 10.2147/BTT.S67844. Review. PubMed PMID: 27013862; PubMed Central PMCID: PMC4777272.

4: Sekiguchi Y, Shimada A, Matsuzawa M, Imai H, Wakabayashi M, Sugimoto K, Nakamura N, Sawada T, Arita J, Komatsu N, Noguchi M. Occurrence of Carcinoma of the Pancreas Following Nilotinib Therapy for Chronic Myeloid Leukemia: Report of a Case with Review of the Literature. Turk J Haematol. 2015 Sep;32(3):257-62. doi: 10.4274/tjh.2013.0322. Review. PubMed PMID: 26376592; PubMed Central PMCID: PMC4563202.

5: Miura M. Therapeutic drug monitoring of imatinib, nilotinib, and dasatinib for patients with chronic myeloid leukemia. Biol Pharm Bull. 2015;38(5):645-54. doi: 10.1248/bpb.b15-00103. Review. PubMed PMID: 25947908.

6: Kaur S, Arora AK, Sekhon JS, Sood N. Nilotinib-induced psoriasis in a patient of chronic myeloid leukemia responding to methotrexate. Indian J Dermatol Venereol Leprol. 2015 Mar-Apr;81(2):216-8. doi: 10.4103/0378-6323.152311. Review. PubMed PMID: 25751356.

7: Weisberg E, Nonami A, Griffin JD. Combination therapy with nilotinib for drug-sensitive and drug-resistant BCR-ABL-positive leukemia and other malignancies. Arch Toxicol. 2014 Dec;88(12):2233-42. doi: 10.1007/s00204-014-1385-5. Review. PubMed PMID: 25331939.

8: Ostendorf BN, le Coutre P, Kim TD, Quintás-Cardama A. Nilotinib. Recent Results Cancer Res. 2014;201:67-80. doi: 10.1007/978-3-642-54490-3_3. Review. PubMed PMID: 24756785.

9: Capuozzo M, Ottaiano A, Nava E, Cascone S, Cinque C, Vercellone A, Scognamiglio C, Palumbo E, Iaffaioli RV. Nilotinib for the Frontline Treatment of Chronic Myeloid Leukemia Carrying the p230 Transcript: Dream or Reality? Front Oncol. 2014 Feb 3;4:17. doi: 10.3389/fonc.2014.00017. Review. PubMed PMID: 24551597; PubMed Central PMCID: PMC3910244.

10: Signorovitch J, Ayyagari R, Reichmann WM, Wu EQ, Chen L. Major molecular response during the first year of dasatinib, imatinib or nilotinib treatment for newly diagnosed chronic myeloid leukemia: a network meta-analysis. Cancer Treat Rev. 2014 Mar;40(2):285-92. doi: 10.1016/j.ctrv.2013.09.004. Review. PubMed PMID: 24112812.

11: Eadie LN, Hughes TP, White DL. Interaction of the efflux transporters ABCB1 and ABCG2 with imatinib, nilotinib, and dasatinib. Clin Pharmacol Ther. 2014 Mar;95(3):294-306. doi: 10.1038/clpt.2013.208. Review. PubMed PMID: 24107928.

12: Kanda T, Ishikawa T, Takahashi T, Nishida T. Nilotinib for treatment of gastrointestinal stromal tumors: out of the equation? Expert Opin Pharmacother. 2013 Sep;14(13):1859-67. doi: 10.1517/14656566.2013.816676. Review. PubMed PMID: 23834614.

13: Brazzelli V, Grasso V, Borroni G. Imatinib, dasatinib and nilotinib: a review of adverse cutaneous reactions with emphasis on our clinical experience. J Eur Acad Dermatol Venereol. 2013 Dec;27(12):1471-80. doi: 10.1111/jdv.12172. Review. PubMed PMID: 23611501.

14: Quintás-Cardama A, Jabbour EJ. Considerations for early switch to nilotinib or dasatinib in patients with chronic myeloid leukemia with inadequate response to first-line imatinib. Leuk Res. 2013 May;37(5):487-95. doi: 10.1016/j.leukres.2013.01.006. Review. PubMed PMID: 23391518.

15: Deadman BJ, Hopkin MD, Baxendale IR, Ley SV. The synthesis of Bcr-Abl inhibiting anticancer pharmaceutical agents imatinib, nilotinib and dasatinib. Org Biomol Chem. 2013 Mar 21;11(11):1766-800. doi: 10.1039/c2ob27003j. Review. PubMed PMID: 23247657.

16: Drucker AM, Wu S, Busam KJ, Berman E, Amitay-Laish I, Lacouture ME. Rash with the multitargeted kinase inhibitors nilotinib and dasatinib: meta-analysis and clinical characterization. Eur J Haematol. 2013 Feb;90(2):142-50. doi: 10.1111/ejh.12052. Review. PubMed PMID: 23240881.

17: Pavey T, Hoyle M, Ciani O, Crathorne L, Jones-Hughes T, Cooper C, Osipenko L, Venkatachalam M, Rudin C, Ukoumunne O, Garside R, Anderson R. Dasatinib, nilotinib and standard-dose imatinib for the first-line treatment of chronic myeloid leukaemia: systematic reviews and economic analyses. Health Technol Assess. 2012;16(42):iii-iv, 1-277. doi: 10.3310/hta16420. Review. PubMed PMID: 23134589.

18: Loveman E, Cooper K, Bryant J, Colquitt JL, Frampton GK, Clegg A. Dasatinib, high-dose imatinib and nilotinib for the treatment of imatinib-resistant chronic myeloid leukaemia: a systematic review and economic evaluation. Health Technol Assess. 2012;16(23):iii-xiii, 1-137. doi: 10.3310/hta16230. Review. PubMed PMID: 22564553; PubMed Central PMCID: PMC4781455.

19: Rogers G, Hoyle M, Thompson Coon J, Moxham T, Liu Z, Pitt M, Stein K. Dasatinib and nilotinib for imatinib-resistant or -intolerant chronic myeloid leukaemia: a systematic review and economic evaluation. Health Technol Assess. 2012;16(22):1-410. doi: 10.3310/hta16220. Review. PubMed PMID: 22551803; PubMed Central PMCID: PMC4781389.

20: Tran A, Tawbi HA. A potential role for nilotinib in KIT-mutated melanoma. Expert Opin Investig Drugs. 2012 Jun;21(6):861-9. doi: 10.1517/13543784.2012.679341. Review. PubMed PMID: 22500535.