KT-474

CAT: 0127-BUP21029-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21029-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2432994-31-3

Synonyms

KT474 | KYM-001 | KYM001 | PROTAC IRAK4 degrader-7

MDL Number

MFCD35054646

Purity

=98%

Smiles

O=C1N(C=2C(=C(C#CCOC3CCN(C[C@H]4CC[C@@H](CC4)N5C=C(NC(=O)C6=C7N(N=C6)C=CC(=N7)N8[C@@]9(C[C@](C8)(OC9)[H])[H])C(C(F)F)=N5)CC3)C=CC2)N1C)C%10C(=O)NC(=O)CC%10

Chemical Information

PROTAC IRAK4 degrader-7

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

CAS Number	2432994-31-3
PubChem CID	146599824
IUPAC Name	N-[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 Formula	C44H49F2N11O6
Molecular Weight	865.9
XLogP	2.5
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	63
Formal Charge	0
Complexity	1790

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

CAS: 2432994-31-3

CID: 146599824

Formula: C44H49F2N11O6

MW: 865.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	865.9
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	865.38353465
Monoisotopic Mass	865.38353465
Topological Polar Surface Area	172 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1790
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BUP11619-01	KT-362 free base
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Alternative Products

Catalog	Name
T74411-01	KT-474
C01784-5mg	KT 474
A23929-10	KT-474 10mg
A23929-5	KT-474 5mg
A23929-1	KT-474 1mg
HY-145483A-01	KT-474 (hydrochloride)
A23929-50	KT-474 50mg
B6673-.025	KT 5823
T200088-01	KT D606
453071-01	KT 5720

KT-474

Chemical Information

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