Fenebrutinib free base
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MedKoo CAT#: 206475

CAS#: 1434048-34-6 (free base)

Description: Fenebrutinib, also known as GDC-0853, is orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Upon administration, GDC-0853 inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents both B-cell activation and BTK-mediated activation of downstream survival pathways, which leads to the inhibition of the growth of malignant B-cells that overexpress BTK. BTK, a member of the Src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in B-lymphocyte development, activation, signaling, proliferation and survival.


Chemical Structure

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Fenebrutinib free base
CAS# 1434048-34-6 (free base)

Theoretical Analysis

MedKoo Cat#: 206475
Name: Fenebrutinib free base
CAS#: 1434048-34-6 (free base)
Chemical Formula: C37H44N8O4
Exact Mass: 664.3486
Molecular Weight: 664.811
Elemental Analysis: C, 66.85; H, 6.67; N, 16.86; O, 9.63

Price and Availability

Size Price Availability Quantity
10.0mg USD 150.0 Same day
25.0mg USD 250.0 Same day
50.0mg USD 450.0 Same day
100.0mg USD 850.0 Same day
200.0mg USD 1450.0 Same day
500.0mg USD 2950.0 Same day
1.0g USD 4650.0 Same day
2.0g USD 7950.0 Same day
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Related CAS #: 1434048-34-6 (free base)   2128304-54-9 (HCl)   2128304-53-8 (mesylate)   2128304-55-0 (sulfate)    

Synonym: GDC-0853; GDC 0853; GDC0853; RG-7845; RG7845; RG 7845; Fenebrutinib; Fenebrutinib free base;

IUPAC/Chemical Name: (S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one

InChi Key: WNEODWDFDXWOLU-QHCPKHFHSA-N

InChi Code: InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1

SMILES Code: O=C1C(N2CCN1C3=NC=CC(C(C=C4NC5=NC=C(N6[C@@H](C)CN(C7COC7)CC6)C=C5)=CN(C)C4=O)=C3CO)=CC8=C2CC(C)(C)C8

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 (days to weeks), or -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 664.811 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

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Heteroarylpyridone and azapyridone compounds as inhibitors of BTK activity and their preparation
By Crawford, James John; Ortwine, Daniel Fred; Wei, Binqing; Young, Wendy B.
From PCT Int. Appl. (2013), WO 2013067274 A1 20130510.



Additional Information

Note: Structure was from https://newdrugapprovals.org/2016/03/ ( visited on 4/7/2016)