TAM558 intermediate-5

CAT: 0013-GTR19237704-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19237704-02Size:10 mg

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Description

TAM558intermediate-54 is a synthetic precursor to the cytotoxic payload TAM558, which is conjugated to the anti-FAP antibody in OMTX705. This antibody-drug conjugate demonstrates antitumor activity in preclinical research, including in vitro cytotoxicity assays and in vivo xenograft models targeting fibroblast activation protein-expressing tumors.

CAS Number

1415659-15-2

Smiles

[C@H] (C[C@@H] (N (C ([C@@H] (NC (=O) [C@@H]1N (C) CCCC1) [C@H] (CC) C) =O) CCC) [C@@H] (C) C) (OCCC) C2=NC (C (N[C@@H] (CC3=CC=C (O) C=C3) C[C@@H] (C (O) =O) C) =O) =CS2

Molecular Formula

C41H65N5O7S

Molecular Weight

772.05

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

TAM558 intermediate-5

CAS Number	1415659-15-2
PubChem CID	89520284
IUPAC Name	(2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
Molecular Formula	C41H65N5O7S
Molecular Weight	772.1
XLogP	5.2
Topological Polar Surface Area	190
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	22
Heavy Atom Count	54
Formal Charge	0
Complexity	1170

SMILES

CCCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OCCC)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C

InChI

InChI=1S/C41H65N5O7S/c1-9-19-46(40(50)36(27(6)11-3)44-38(49)33-14-12-13-20-45(33)8)34(26(4)5)24-35(53-21-10-2)39-43-32(25-54-39)37(48)42-30(22-28(7)41(51)52)23-29-15-17-31(47)18-16-29/h15-18,25-28,30,33-36,47H,9-14,19-24H2,1-8H3,(H,42,48)(H,44,49)(H,51,52)/t27-,28-,30+,33+,34+,35+,36-/m0/s1

InChIKey

ACRSOTAEOXNROB-WPIAVMABSA-N

Chemical Structure

2D Structure

CAS: 1415659-15-2

CID: 89520284

Formula: C41H65N5O7S

MW: 772.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	772.1
XLogP3	5.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	22
Exact Mass	771.46047060
Monoisotopic Mass	771.46047060
Topological Polar Surface Area	190 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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