WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 533618
CAS#: 2360561-66-4
Description: P13I is a novel PROTAC BTK degrader, efficiently degrading ibrutinib-sensitive BTK-WT (wild type), significantly inducing the degradation of ibrutinib-resistant BTK-C481S.
MedKoo Cat#: 533618
Name: P13I
CAS#: 2360561-66-4
Chemical Formula: C46H48N12O9
Exact Mass: 912.3667
Molecular Weight: 912.965
Elemental Analysis: C, 60.52; H, 5.30; N, 18.41; O, 15.77
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Synonym: P13I; P-13I; P 13I
IUPAC/Chemical Name: 4-((2-(2-(2-(2-(4-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
InChi Key: DAKOVCJVMZQQAH-XMGIQNEDSA-N
InChi Code: InChI=1S/C46H48N12O9/c47-41-39-40(29-11-13-32(14-12-29)67-31-7-2-1-3-8-31)53-58(42(39)50-28-49-41)30-6-5-18-55(26-30)45(62)35-27-56(54-52-35)19-21-65-23-25-66-24-22-64-20-17-48-34-10-4-9-33-38(34)46(63)57(44(33)61)36-15-16-37(59)51-43(36)60/h1-4,7-14,27-28,30,36,48H,5-6,15-26H2,(H2,47,49,50)(H,51,59,60)/t30-,36?/m1/s1
SMILES Code: O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCN4N=NC(C(N5C[C@H](N6N=C(C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C(N)N=CN=C96)CCC5)=O)=C4)=O
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
Shelf Life: >3 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 912.965 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 |
