Technetium Tc 99M P280

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Also known as: Technetium tc 99m apcitide, Technetium tc-99m apcitide, Iv7t84qa4t, (99mtc)-p246, P280 tc chelate, Technetium (99mtc) apcitide [inn]

Molecular Formula

C₅₁H₇₂N₁₇NaO₂₀S₅Tc-

Molecular Weight

1525.5 g/mol

InChI Key

FKYRHOMOAIJZJC-YLXBGQBVSA-I

Technetium Tc-99m Apcitide is a radioconjugate comprised of the small peptide apcitide labeled with the gamma-emitting technetium TC99m (metastable Tc-99). Apcitide binds to platelet glycoprotein (GP) GPIIb/IIIa receptors on the surface of activated platelets. Labeling apcitide with TC99m allows localization of thrombus formation by gamma-ray imaging equipment and the ability to distinguish between old, inactive thrombi and new, active thrombi.

1 2D Structure

Technetium Tc 99M P280

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[(3R,6S,12R,15R)-3-[[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-1-[2-[2-[(2R)-1-amino-1-oxo-3-sulfidopropan-2-yl]imino-2-oxidoethyl]imino-2-oxidoethyl]imino-1-oxidopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-12-(3-aminopropylsulfanylmethyl)-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclooctadec-6-yl]acetate;oxygen(2-);technetium-99(5+)

2.1.2 InChI

InChI=1S/C51H77N17O19S5.Na.O.Tc/c1-26(69)60-24-91-21-33(46(82)56-12-37(72)54-14-39(74)64-32(18-88)45(53)81)66-42(77)17-58-47(83)34(22-92-25-61-27(2)70)65-40(75)15-55-38(73)13-57-49(85)36-20-90-23-43(78)63-30(10-28-4-6-29(71)7-5-28)50(86)67-35(19-89-9-3-8-52)48(84)59-16-41(76)62-31(11-44(79)80)51(87)68-36;;;/h4-7,30-36,71,88H,3,8-25,52H2,1-2H3,(H2,53,81)(H,54,72)(H,55,73)(H,56,82)(H,57,85)(H,58,83)(H,59,84)(H,60,69)(H,61,70)(H,62,76)(H,63,78)(H,64,74)(H,65,75)(H,66,77)(H,67,86)(H,68,87)(H,79,80);;;/q;+1;-2;+5/p-5/t30-,31+,32+,33+,34+,35+,36+;;;/m1.../s1/i;;;1+1

2.1.3 InChI Key

FKYRHOMOAIJZJC-YLXBGQBVSA-I

2.1.4 Canonical SMILES

CC(=O)NCSCC(C(=O)NCC(=O)NC(CSCNC(=O)C)C(=NCC(=NCC(=NC(C[S-])C(=O)N)[O-])[O-])[O-])NC(=O)CNC(=O)CNC(=O)C1CSCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(=O)[O-])CSCCCN)CC2=CC=C(C=C2)O.[O-2].[Na+].[Tc+5]

2.1.5 Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCNC(=O)C)C(=NCC(=NCC(=N[C@@H](C[S-])C(=O)N)[O-])[O-])[O-])NC(=O)CNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)[O-])CSCCCN)CC2=CC=C(C=C2)O.[O-2].[Na+].[99Tc+5]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (99m)technetium-p280

2. 99mtc-apcitide

3. 99mtc-p280

4. Acutect

5. P280 Tc Chelate

6. Tc-99m-p280

7. Technetium Tc 99m Apcitide

8. Technetium Tc 99m P280

2.2.2 Depositor-Supplied Synonyms

1. Technetium Tc 99m Apcitide

2. Technetium Tc-99m Apcitide

3. Iv7t84qa4t

4. (99mtc)-p246

5. P280 Tc Chelate

6. Technetium (99mtc) Apcitide [inn]

7. (99m)technetium-p280

8. Unii-iv7t84qa4t

9. Technetium Tc 99m Apcitide [usan:usp]

10. 178959-14-3

11. Technetium ((sup 99m) Tc) Apcitide

12. Q27280911

13. Sodium Hydrogen (n-(mercaptoacetyl)-d-tyrosyl-s-(3-aminopropyl)-l-cysteinylglycyl-l-alpha-aspartyl-l-cysteinylglycylglycyl-s-(acetamidomethyl)-l-cysteinylglycyl-s-(acetamidomethyl)-l-cysteinylglycylglycyl-l-cysteinamide Cyclic (1-5)-sulfidato(5-)-n(sup 11),n(sup 12),n(sup 13),s(sup 13))oxo((sup 99m)tc)technetate(v)

2.3 Create Date

2014-03-02

3 Chemical and Physical Properties

Molecular Formula	C₅₁H₇₂N₁₇NaO₂₀S₅Tc-
Molecular Weight	1525.5 g/mol
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	29
Rotatable Bond Count	34
Exact Mass	1524.270328 g/mol
Monoisotopic Mass	1524.270328 g/mol
Topological Polar Surface Area	688 Å²
Heavy Atom Count	95
Formal Charge	-1
Complexity	2650
Isotope Atom Count	1
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4