Products for Research Use Only

TCIP3

CAT: 0804-HY-173552-02Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-173552-02Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
TCIP3 is a bivalent molecular glue with with dual binding to p300/CBP and BCL6. TCIP3 redirects p300 and CBP to activate programmed cell death genes normally repressed by the oncogenic driver, BCL6. TCIP3 can be used for the study of diffuse large B cell lymphomas (DLBCLs) . TCIP3 exhibits no toxicity in non-transformed tonsillar lymphocytes or fibroblasts[1].
CAS Number
3067681-36-8
UNSPSC
12352005
Target
BCL6; Histone Acetyltransferase; Molecular Glues
Related Pathways
Epigenetics; Immunology/Inflammation; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.30
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CC2=C(CC1)N(C3CCN(CC3)C(CCN4CCN(CC4)C(C5CCN(CC5)C6=NC=C(C(NC7=CC(C=C(C(N8C)=O)OCC(NC)=O)=C8C(OC)=C7)=N6)Cl)=O)=O)N=C2N9C%10=C(CCC9)C=C(C%11=CN(C)N=C%11)C(C(F)F)=C%10)NC
Molecular Formula
C58H71ClF2N16O7
Molecular Weight
1177.74
References & Citations
[1]Nix MN, et al. A Bivalent Molecular Glue Linking Lysine Acetyltransferases to Oncogene-induced Cell Death. bioRxiv [Preprint]. 2025 Mar 17:2025.03.14.643404.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[1-[3-[4-[1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carbonyl]piperazin-1-yl]propanoyl]piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CAS Number3067681-36-8
PubChem CID176131181
IUPAC Name1-[1-[3-[4-[1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carbonyl]piperazin-1-yl]propanoyl]piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
Molecular FormulaC58H71ClF2N16O7
Molecular Weight1177.7
XLogP4.1
Topological Polar Surface Area224
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count15
Heavy Atom Count84
Formal Charge0
Complexity2330
SMILES
CNC(=O)COC1=CC2=CC(=CC(=C2N(C1=O)C)OC)NC3=NC(=NC=C3Cl)N4CCC(CC4)C(=O)N5CCN(CC5)CCC(=O)N6CCC(CC6)N7C8=C(CN(CC8)C(=O)NC)C(=N7)N9CCCC1=CC(=C(C=C19)C(F)F)C1=CN(N=C1)C
InChI
InChI=1S/C58H71ClF2N16O7/c1-62-49(78)34-84-48-27-37-25-39(28-47(83-5)51(37)70(4)56(48)81)66-53-44(59)31-64-57(67-53)74-16-8-35(9-17-74)55(80)73-23-21-71(22-24-73)15-13-50(79)72-18-10-40(11-19-72)77-45-12-20-75(58(82)63-2)33-43(45)54(68-77)76-14-6-7-36-26-41(38-30-65-69(3)32-38)42(52(60)61)29-46(36)76/h25-32,35,40,52H,6-24,33-34H2,1-5H3,(H,62,78)(H,63,82)(H,64,66,67)
InChIKey
NHWQUQINMUWILV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-[3-[4-[1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carbonyl]piperazin-1-yl]propanoyl]piperidin-4-yl]-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CAS: 3067681-36-8
CID: 176131181
Formula: C58H71ClF2N16O7
MW: 1177.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1177.7
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count15
Exact Mass1176.5348227
Monoisotopic Mass1176.5348227
Topological Polar Surface Area224 Ų
Heavy Atom Count84
Formal Charge0
Complexity2330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products