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KT-474

CAT: 0804-HY-145483-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145483-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KT-474 (KYM-001; PROTAC IRAK4 degrader-7) is an orally active PROTAC IRAK4 degrader with anti-tumor effects. KT-474 inhibits the cell cycle and induces apoptosis. KT-474 induces tumor regression in a xenograft model of MYD88-mutated ABC DLBCL. KT-474 is a click chemistry reagent, containing an alkyne group, which can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing azide groups[1][2][3].
CAS Number
2432994-31-3
Product Name Alternative
KYM-001; PROTAC IRAK4 degrader-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Apoptosis; IRAK; PROTACs
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; PROTAC
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/kt-474.html
Purity
99.77
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N(C(CCC2=O)C(N2)=O)C3=CC=CC(C#CCOC(CC4)CCN4C[C@H]5CC[C@@](N(N=C6C(F)F)C=C6NC(C7=C(N=C(N8[C@@H](CO9)C[C@@H]9C8)C=C%10)N%10N=C7)=O)([H])CC5)=C3N1C
Molecular Formula
C44H49F2N11O6
Molecular Weight
865.93
Precautions
H302, H315, H319
References & Citations
[1]Nello Mainolfi, et al. Irak degraders and uses thereof. Patent WO2020113233A1.|[2]Ackerman L, et al. IRAK4 degrader in hidradenitis suppurativa and atopic dermatitis: a phase 1 trial. Nat Med. 2023 Dec;29 (12) :3127-3136.|[3]Joseph F. Kelleher, et al. Abstract LB-272: KYM-001, a first-in-class oral IRAK4 protein degrader, induces tumor regression in xenograft models of MYD88-mutant ABC DLBCL alone and in combination with BTK inhibition. Cancer Res (2019) 79 (13_Supplement) : LB-272.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
IRAK4

Chemical Information

PROTAC IRAK4 degrader-7

See also: KT-474 (annotation moved to).

CAS Number2432994-31-3
PubChem CID146599824
IUPAC NameN-[3-(difluoromethyl)-1-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC44H49F2N11O6
Molecular Weight865.9
XLogP2.5
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count63
Formal Charge0
Complexity1790
SMILES
CN1C2=C(C=CC=C2N(C1=O)C3CCC(=O)NC3=O)C#CCOC4CCN(CC4)CC5CCC(CC5)N6C=C(C(=N6)C(F)F)NC(=O)C7=C8N=C(C=CN8N=C7)N9C[C@H]1C[C@@H]9CO1
InChI
InChI=1S/C44H49F2N11O6/c1-52-39-27(4-2-6-34(39)57(44(52)61)35-11-12-37(58)50-43(35)60)5-3-19-62-30-13-16-53(17-14-30)22-26-7-9-28(10-8-26)56-24-33(38(51-56)40(45)46)48-42(59)32-21-47-55-18-15-36(49-41(32)55)54-23-31-20-29(54)25-63-31/h2,4,6,15,18,21,24,26,28-31,35,40H,7-14,16-17,19-20,22-23,25H2,1H3,(H,48,59)(H,50,58,60)/t26?,28?,29-,31-,35?/m1/s1
InChIKey
NQGKNAVUMAHSQN-PKIOHZLWSA-N
Chemical Structure
2D Structure
2D structure of PROTAC IRAK4 degrader-7
CAS: 2432994-31-3
CID: 146599824
Formula: C44H49F2N11O6
MW: 865.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight865.9
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass865.38353465
Monoisotopic Mass865.38353465
Topological Polar Surface Area172 Ų
Heavy Atom Count63
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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