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Tezusomant

CAT: 0013-GTR19257997-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257997-02Size:50 mg
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Description
Tezusomant is an antagonist of the growth hormone receptor (growth hormone receptor) . It is being investigated for potential use in conditions like acromegaly, which are caused by excessive secretion of growth hormone.
CAS Number
2802416-72-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1[C@@]2 (CC=3C=4C (N (C3) CC (=O) NCCCC[C@] (N (C) C (=O) [C@H] (CC5=CC=C (C (O) =O) C=C5) NC (=O) CSC[C@@H] (C (NCCCC[C@H] (NC (CC[C@H] (NC (CC[C@H] (NC (CCCCCCCCCCCCCCC (O) =O) =O) C (O) =O) =O) C (O) =O) =O) C (N) =O) =O) NC (=O) [C@H] ([C@H] (C) C) NC (=O) C (C) (C) NC (=O) [C@H] (CC=6C=7C (NC6) =CC=C (O) C7) NC (=O) [C@H] (CCCCN) NC (=O) [C@H] (CC8=CC=C (C (O) =O) C=C8) N1) (C (=O) N[C@@H] ([C@@H] (C) C) C (=O) N[C@@H] ([C@H] (C) C) C (=O) N[C@@H] (CO) C (=O) N[C@@H] (CC (N) =O) C (=O) N2) [H]) =CC=CC4) [H]
Molecular Formula
C120H171N23O32S
Molecular Weight
2479.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tezusomant
CAS Number2802416-72-2
PubChem CID172866519
IUPAC Name4-[[(1S,4S,10R,13S,19S,22S,25S,28S,47S,50S,53S,56S)-22-(4-aminobutyl)-10-[[(5S)-6-amino-5-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(15-carboxypentadecanoylamino)butanoyl]amino]butanoyl]amino]-6-oxohexyl]carbamoyl]-56-(2-amino-2-oxoethyl)-4-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tri(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecazatetracyclo[26.16.14.130,37.031,36]nonapentaconta-30(59),31,33,35-tetraen-25-yl]methyl]benzoic acid
Molecular FormulaC120H171N23O32S
Molecular Weight2479.8
XLogP3.6
Topological Polar Surface Area900
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count34
Rotatable Bond Count51
Heavy Atom Count176
Formal Charge0
Complexity5500
SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CC3=CN(CC(=O)NCCCC[C@@H](C(=O)N1)N(C(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)C(=O)O)CCCCN)CC5=CNC6=C5C=C(C=C6)O)(C)C)C(C)C)C(=O)NCCCC[C@@H](C(=O)N)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O)CC7=CC=C(C=C7)C(=O)O)C)C8=CC=CC=C38)CC(=O)N)CO)C(C)C
InChI
InChI=1S/C120H171N23O32S/c1-66(2)99-111(163)136-88(63-144)108(160)135-86(59-92(122)146)107(159)133-84-57-74-61-143(90-33-23-22-30-76(74)90)62-96(150)124-52-29-26-34-91(110(162)138-100(67(3)4)113(165)139-99)142(9)114(166)87(55-70-39-43-72(44-40-70)116(169)170)130-97(151)65-176-64-89(103(155)125-53-28-25-31-79(102(123)154)127-94(148)49-47-82(118(173)174)129-95(149)50-48-81(117(171)172)128-93(147)35-20-18-16-14-12-10-11-13-15-17-19-21-36-98(152)153)137-112(164)101(68(5)6)140-119(175)120(7,8)141-109(161)85(56-73-60-126-78-46-45-75(145)58-77(73)78)134-104(156)80(32-24-27-51-121)131-105(157)83(132-106(84)158)54-69-37-41-71(42-38-69)115(167)168/h22-23,30,33,37-46,58,60-61,66-68,79-89,91,99-101,126,144-145H,10-21,24-29,31-32,34-36,47-57,59,62-65,121H2,1-9H3,(H2,122,146)(H2,123,154)(H,124,150)(H,125,155)(H,127,148)(H,128,147)(H,129,149)(H,130,151)(H,131,157)(H,132,158)(H,133,159)(H,134,156)(H,135,160)(H,136,163)(H,137,164)(H,138,162)(H,139,165)(H,140,175)(H,141,161)(H,152,153)(H,167,168)(H,169,170)(H,171,172)(H,173,174)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,91-,99-,100-,101-/m0/s1
InChIKey
UUNQJTVHPFMQJB-OMRBBKOSSA-N
Chemical Structure
2D Structure
2D structure of Tezusomant
CAS: 2802416-72-2
CID: 172866519
Formula: C120H171N23O32S
MW: 2479.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2479.8
XLogP33.6
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count34
Rotatable Bond Count51
Exact Mass2479.2214764
Monoisotopic Mass2478.2181215
Topological Polar Surface Area900 Ų
Heavy Atom Count176
Formal Charge0
Complexity5500
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-P10964Tezusomant

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