Abemaciclib free base
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MedKoo CAT#: 205911

CAS#: 1231929-97-7 (free base)

Description: Abemaciclib, also known as LY2835219, is orally available cyclin-dependent kinase (CDK) inhibitor that targets the CDK4 (cyclin D1) and CDK6 (cyclin D3) cell cycle pathway, with potential antineoplastic activity. LY2835219 inhibits CDK4 and CDK6 with low nanomolar potency. LY2835219 specifically inhibits CDK4 and 6, thereby inhibiting retinoblastoma (Rb) protein phosphorylation in early G1. Inhibition of Rb phosphorylation prevents CDK-mediated G1-S phase transition, thereby arresting the cell cycle in the G1 phase, suppressing DNA synthesis and inhibiting cancer cell growth.


Chemical Structure

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Abemaciclib free base
CAS# 1231929-97-7 (free base)

Theoretical Analysis

MedKoo Cat#: 205911
Name: Abemaciclib free base
CAS#: 1231929-97-7 (free base)
Chemical Formula: C27H32F2N8
Exact Mass: 506.2718
Molecular Weight: 506.59339
Elemental Analysis: C, 64.01; H, 6.37; F, 7.50; N, 22.12

Size Price Shipping out time Quantity
200mg USD 150 Same Day
500mg USD 350 Same Day
1g USD 550 Same Day
2g USD 950 Same Day
5g USD 1950 Same Day
10g USD 2950 Same Day
20g USD 4750 Same Day
Inquire bulk and customized quantity

Pricing updated 2021-03-09. Prices are subject to change without notice.

Abemaciclib free base, purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 1231929-97-7 (free base)   1231930-82-7 (mesylate)    

Synonym: LY2835219; LY2835219; LY 2835219; Abemaciclib.

IUPAC/Chemical Name: N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine

InChi Key: UZWDCWONPYILKI-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)

SMILES Code: CC1=NC2=C(F)C=C(C3=NC(NC4=NC=C(CN5CCN(CC)CC5)C=C4)=NC=C3F)C=C2N1C(C)C

Appearance:
White to off-white 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:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0-4 C for short term (weeks), and -20 C for long term (months)

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 506.59339 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Naz S, Sowers AL, Choudhuri R, Wissler MF, Gamson J, Mathias A, Cook JA, Mitchell JB. Abemaciclib, a Selective CDK4/6 Inhibitor Enhances the Radiosensitivity of Non-Small Cell Lung Cancer in vitro and in vivo. Clin Cancer Res. 2018 May 1. pii: clincanres.3575.2017. doi: 10.1158/1078-0432.CCR-17-3575. [Epub ahead of print] PubMed PMID: 29716919.

2: Schaer DA, Beckmann RP, Dempsey JA, Huber L, Forest A, Amaladas N, Li Y, Wang YC, Rasmussen ER, Chin D, Capen A, Carpenito C, Staschke KA, Chung LA, Litchfield LM, Merzoug FF, Gong X, Iversen PW, Buchanan S, de Dios A, Novosiadly RD, Kalos M. The CDK4/6 Inhibitor Abemaciclib Induces a T Cell Inflamed Tumor Microenvironment and Enhances the Efficacy of PD-L1 Checkpoint Blockade. Cell Rep. 2018 Mar 13;22(11):2978-2994. doi: 10.1016/j.celrep.2018.02.053. PubMed PMID: 29539425.

3: Kotake T, Toi M. Abemaciclib for the treatment of breast cancer. Expert Opin Pharmacother. 2018 Apr;19(5):517-524. doi: 10.1080/14656566.2018.1448787. Epub 2018 Mar 9. PubMed PMID: 29522364.

4: Corona SP, Generali D. Abemaciclib: a CDK4/6 inhibitor for the treatment of HR+/HER2- advanced breast cancer. Drug Des Devel Ther. 2018 Feb 16;12:321-330. doi: 10.2147/DDDT.S137783. eCollection 2018. Review. PubMed PMID: 29497278; PubMed Central PMCID: PMC5818877.

5: O'Brien N, Conklin D, Beckmann R, Luo T, Chau K, Thomas J, Mc Nulty A, Marchal C, Kalous O, von Euw E, Hurvitz S, Mockbee C, Slamon DJ. Preclinical Activity of Abemaciclib Alone or in Combination with Antimitotic and Targeted Therapies in Breast Cancer. Mol Cancer Ther. 2018 May;17(5):897-907. doi: 10.1158/1535-7163.MCT-17-0290. Epub 2018 Feb 26. PubMed PMID: 29483214.

6: Kosovec JE, Zaidi AH, Omstead AN, Matsui D, Biedka MJ, Cox EJ, Campbell PT, Biederman RWW, Kelly RJ, Jobe BA. CDK4/6 dual inhibitor abemaciclib demonstrates compelling preclinical activity against esophageal adenocarcinoma: a novel therapeutic option for a deadly disease. Oncotarget. 2017 Nov 1;8(59):100421-100432. doi: 10.18632/oncotarget.22244. eCollection 2017 Nov 21. PubMed PMID: 29245989; PubMed Central PMCID: PMC5725031.

7: Gong X, Litchfield LM, Webster Y, Chio LC, Wong SS, Stewart TR, Dowless M, Dempsey J, Zeng Y, Torres R, Boehnke K, Mur C, Marugán C, Baquero C, Yu C, Bray SM, Wulur IH, Bi C, Chu S, Qian HR, Iversen PW, Merzoug FF, Ye XS, Reinhard C, De Dios A, Du J, Caldwell CW, Lallena MJ, Beckmann RP, Buchanan SG. Genomic Aberrations that Activate D-type Cyclins Are Associated with Enhanced Sensitivity to the CDK4 and CDK6 Inhibitor Abemaciclib. Cancer Cell. 2017 Dec 11;32(6):761-776.e6. doi: 10.1016/j.ccell.2017.11.006. PubMed PMID: 29232554.

8: Small J, Washburn E, Millington K, Zhu J, Holder SL. The addition of abemaciclib to sunitinib induces regression of renal cell carcinoma xenograft tumors. Oncotarget. 2017 Jul 27;8(56):95116-95134. doi: 10.18632/oncotarget.19618. eCollection 2017 Nov 10. PubMed PMID: 29221116; PubMed Central PMCID: PMC5707010.

9: Cousins EM, Goldfarb D, Yan F, Roques J, Darr D, Johnson GL, Major MB. Competitive Kinase Enrichment Proteomics Reveals that Abemaciclib Inhibits GSK3β and Activates WNT Signaling. Mol Cancer Res. 2018 Feb;16(2):333-344. doi: 10.1158/1541-7786.MCR-17-0468. Epub 2017 Nov 13. PubMed PMID: 29133594; PubMed Central PMCID: PMC5805620.

10: Kim ES. Abemaciclib: First Global Approval. Drugs. 2017 Dec;77(18):2063-2070. doi: 10.1007/s40265-017-0840-z. PubMed PMID: 29128965.

11: Abemaciclib (Verzenio)--a third CDK 4/6 inhibitor for breast cancer. Med Lett Drugs Ther. 2017 Nov 6;59(1533):185-186. PubMed PMID: 29125595.

12: Chen SH, Gong X, Zhang Y, Van Horn RD, Yin T, Huber L, Burke TF, Manro J, Iversen PW, Wu W, Bhagwat SV, Beckmann RP, Tiu RV, Buchanan SG, Peng SB. RAF inhibitor LY3009120 sensitizes RAS or BRAF mutant cancer to CDK4/6 inhibition by abemaciclib via superior inhibition of phospho-RB and suppression of cyclin D1. Oncogene. 2018 Feb 8;37(6):821-832. doi: 10.1038/onc.2017.384. Epub 2017 Oct 23. PubMed PMID: 29059158.

13: Torres-Guzmán R, Calsina B, Hermoso A, Baquero C, Alvarez B, Amat J, McNulty AM, Gong X, Boehnke K, Du J, de Dios A, Beckmann RP, Buchanan S, Lallena MJ. Preclinical characterization of abemaciclib in hormone receptor positive breast cancer. Oncotarget. 2017 May 10;8(41):69493-69507. doi: 10.18632/oncotarget.17778. eCollection 2017 Sep 19. PubMed PMID: 29050219; PubMed Central PMCID: PMC5642494.

14: Sidaway P. Breast Cancer: Abemaciclib effective in combination with aromatase inhibition. Nat Rev Clin Oncol. 2017 Dec;14(12):714. doi: 10.1038/nrclinonc.2017.169. Epub 2017 Oct 17. PubMed PMID: 29039423.

15: FDA OKs Abemaciclib for ER+, HER2- Breast Cancer. Cancer Discov. 2017 Nov;7(11):OF1. doi: 10.1158/2159-8290.CD-NB2017-141. Epub 2017 Oct 4. PubMed PMID: 28978559.

16: Goetz MP, Toi M, Campone M, Sohn J, Paluch-Shimon S, Huober J, Park IH, Trédan O, Chen SC, Manso L, Freedman OC, Garnica Jaliffe G, Forrester T, Frenzel M, Barriga S, Smith IC, Bourayou N, Di Leo A. MONARCH 3: Abemaciclib As Initial Therapy for Advanced Breast Cancer. J Clin Oncol. 2017 Nov 10;35(32):3638-3646. doi: 10.1200/JCO.2017.75.6155. Epub 2017 Oct 2. PubMed PMID: 28968163.

17: First-Line Abemaciclib Effective in ER+ Breast Cancer. Cancer Discov. 2017 Nov;7(11):OF6. doi: 10.1158/2159-8290.CD-NB2017-135. Epub 2017 Sep 22. PubMed PMID: 28939653.

18: Iriyama N, Hino H, Moriya S, Hiramoto M, Hatta Y, Takei M, Miyazawa K. The cyclin-dependent kinase 4/6 inhibitor, abemaciclib, exerts dose-dependent cytostatic and cytocidal effects and induces autophagy in multiple myeloma cells. Leuk Lymphoma. 2017 Sep 18:1-12. doi: 10.1080/10428194.2017.1376741. [Epub ahead of print] PubMed PMID: 28918692.

19: Kwapisz D. Cyclin-dependent kinase 4/6 inhibitors in breast cancer: palbociclib, ribociclib, and abemaciclib. Breast Cancer Res Treat. 2017 Nov;166(1):41-54. doi: 10.1007/s10549-017-4385-3. Epub 2017 Jul 24. Review. PubMed PMID: 28741274.

20: Sledge GW Jr, Toi M, Neven P, Sohn J, Inoue K, Pivot X, Burdaeva O, Okera M, Masuda N, Kaufman PA, Koh H, Grischke EM, Frenzel M, Lin Y, Barriga S, Smith IC, Bourayou N, Llombart-Cussac A. MONARCH 2: Abemaciclib in Combination With Fulvestrant in Women With HR+/HER2- Advanced Breast Cancer Who Had Progressed While Receiving Endocrine Therapy. J Clin Oncol. 2017 Sep 1;35(25):2875-2884. doi: 10.1200/JCO.2017.73.7585. Epub 2017 Jun 3. PubMed PMID: 28580882.



Additional Information

Related CAS#
CAS#1231929-97-7 (LY2835219 free base)
CAS# 1231930-82-7 (LY2835219 mesylate salt).