TAM558

CAT: 0013-GTR19231375-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231375-02Size:50 mg

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Description

TAM558 is the payload component used in the construction of OMTX705, a FAP-targeting antibody-drug conjugate. This research compound is applied in oncology studies to investigate targeted cytolysin delivery, with utility in both in vitro and in vivo models of tumor biology.

CAS Number

1802499-21-3

Smiles

[C@H] (C[C@@H] (N (C ([C@@H] (NC (=O) [C@@H]1N (C) CCCC1) [C@H] (CC) C) =O) CCC) C (C) C) (OCCC) C2=NC (C (N[C@@H] (CC3=CC=C (O) C=C3) C[C@@H] (C (NNC (OCCOCCOCCOCCNC (OCC4=CC=C (NC ([C@@H] (NC ([C@@H] (NC (CCCCCN5C (=O) C=CC5=O) =O) [C@H] (C) C) =O) CCCNC (N) =O) =O) C=C4) =O) =O) =O) C) =O) =CS2

Molecular Formula

C79H122N14O19S

Molecular Weight

1603.96

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-[2-[2-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[[(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]pentanoyl]amino]carbamate

CAS Number	1802499-21-3
PubChem CID	118283862
IUPAC Name	2-[2-[2-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[[(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]pentanoyl]amino]carbamate
Molecular Formula	C79H122N14O19S
Molecular Weight	1604.0
XLogP	6.9
Topological Polar Surface Area	466
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	54
Heavy Atom Count	113
Formal Charge	0
Complexity	2960

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)NNC(=O)OCCOCCOCCOCCNC(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN4C(=O)C=CC4=O)OCCC)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]5CCCCN5C

InChI

InChI=1S/C79H122N14O19S/c1-11-35-92(76(103)69(53(8)13-3)88-73(101)62-21-16-18-36-91(62)10)63(51(4)5)48-64(110-38-12-2)75-86-61(50-113-75)72(100)84-58(47-55-25-29-59(94)30-26-55)46-54(9)70(98)89-90-79(106)111-45-44-109-43-42-108-41-40-107-39-34-82-78(105)112-49-56-23-27-57(28-24-56)83-71(99)60(20-19-33-81-77(80)104)85-74(102)68(52(6)7)87-65(95)22-15-14-17-37-93-66(96)31-32-67(93)97/h23-32,50-54,58,60,62-64,68-69,94H,11-22,33-49H2,1-10H3,(H,82,105)(H,83,99)(H,84,100)(H,85,102)(H,87,95)(H,88,101)(H,89,98)(H,90,106)(H3,80,81,104)/t53-,54-,58+,60-,62+,63+,64+,68-,69-/m0/s1

InChIKey

GJSOQVVIEZWQBH-FOJMMPRNSA-N

Chemical Structure

2D Structure

CAS: 1802499-21-3

CID: 118283862

Formula: C79H122N14O19S

MW: 1604.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1604.0
XLogP3	6.9
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	54
Exact Mass	1602.87313889
Monoisotopic Mass	1602.87313889
Topological Polar Surface Area	466 Å²
Heavy Atom Count	113
Formal Charge	0
Complexity	2960
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19234517-01	TAM557
GTR18020536	Tam8 Antibody
GTR18020495	Tam5 Antibody

Alternative Products

Catalog	Name
BA2687-1	TAM558
HY-400688	TAM558 intermediate-2
HY-48564-01	TAM558 intermediate-5
TYD-02731-01	TAM558 intermediate-4
TYD-02729-01	TAM558 intermediate-1
HY-400689	TAM558 intermediate-3

TAM558

Chemical Information

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