WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407266
CAS#: Unknown (Palbociclib-SMCC)
Description: Palbociclib-SMCC is a Palbociclib derivative with a SMCC linker. Palbociclib-SMCC is useful to make Palbociclib drug conjugate (Antibody-drug conjugate, ADC) for targeted drug delivery. Palbociclib is an cyclin-dependent kinase (CDK) inhibitor. Palbociclib was approved in 2015 as a treatment (in combination with letrozole) for patients with estrogen receptor-positive advanced breast cancer.
MedKoo Cat#: 407266
CAS#: Unknown (Palbociclib-SMCC)
Chemical Formula: C36H42N8O5
Exact Mass: 666.3278
Molecular Weight: 666.783
Elemental Analysis: C, 64.85; H, 6.35; N, 16.81; O, 12.00
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Related CAS #: 571190-30-2 (free base) 827022-32-2 (HCl) 827022-33-3 (isethionate) Unknown (Palbociclib-SMCC)
Synonym: PD0332991-SMCC; PD 0332991-SMCC; PD-0332991-SMCC; Palbociclib-SMCC; Palbociclib-SMCC linker; Palbociclib with a SMCC linker. Palbociclib conjugate.
IUPAC/Chemical Name: 1-((4-(4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carbonyl)cyclohexyl)methyl)-1H-pyrrole-2,5-dione
InChi Key: YPPDYAQBRIHIAI-UHFFFAOYSA-N
InChi Code: InChI=1S/C36H42N8O5/c1-22-28-20-38-36(40-33(28)44(26-5-3-4-6-26)35(49)32(22)23(2)45)39-29-12-11-27(19-37-29)41-15-17-42(18-16-41)34(48)25-9-7-24(8-10-25)21-43-30(46)13-14-31(43)47/h11-14,19-20,24-26H,3-10,15-18,21H2,1-2H3,(H,37,38,39,40)
SMILES Code: O=C1C(C(C)=O)=C(C2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCN(C(C6CCC(CN7C(C=CC7=O)=O)CC6)=O)CC5)C
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: 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
The following data is based on the product molecular weight 666.783 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.
|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|
SMCC is a heterobifunctional protein crosslinker. SMCC is commonly used to prepare antibody-enzyme conjugates. This molecule contains an amine reactive NHS ester on one end, and a maleimide functional group that can be utilized to react specifically with sulfhydryl (-SH) moeities. The maleimide functional group does not readily react with amino group (-NH2) as found on lysine residues, thus maleimide activated conjugates can be readily formed and preserved for later utilization