N-Acetyloxytocin was extracted from the neurointermediate lobe (NIL) of the rat pituitary gland and is present in several rat brain regions.

Physicochemical Properties

Molecular Formula	C45H68N12O13S2
Molecular Weight	1049.22
Exact Mass	1048.447
CAS #	10551-48-1
PubChem CID	118136951
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	1593.2±65.0 °C at 760 mmHg
Flash Point	917.3±34.3 °C
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.628
LogP	-3.89
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	18
Heavy Atom Count	72
Complexity	1990
Defined Atom Stereocenter Count	9
SMILES	S1C[C@@H](C(N2CCC[C@H]2C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)=O)NC([C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC2C=CC(=CC=2)O)NC([C@H](CS1)NC(C)=O)=O)=O)=O)=O)=O
InChi Key	RROMYFJBCBPTNU-RANNHORISA-N
InChi Code	InChI=1S/C45H68N12O13S2/c1-6-23(4)37-44(69)51-27(13-14-34(46)60)39(64)53-30(18-35(47)61)40(65)55-32(45(70)57-15-7-8-33(57)43(68)54-28(16-22(2)3)38(63)49-19-36(48)62)21-72-71-20-31(50-24(5)58)42(67)52-29(41(66)56-37)17-25-9-11-26(59)12-10-25/h9-12,22-23,27-33,37,59H,6-8,13-21H2,1-5H3,(H2,46,60)(H2,47,61)(H2,48,62)(H,49,63)(H,50,58)(H,51,69)(H,52,67)(H,53,64)(H,54,68)(H,55,65)(H,56,66)/t23-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1
Chemical Name	(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-acetamido-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	A post-translational alteration of oxytocin (OT) and vasopressin (VP) is called N-acetyloxytocin. The acetylated versions are found in different systems that produce OT and VP in addition to the pineal gland, the tissue in which N-acetyloxytocin is first identified[1].
References	[1]. Liu B, et al. N-acetyl-vasopressin- and N-acetyl-oxytocin-like substances: isolation and characterization in the rat neurointermediate pituitary and presence in the brain. J Neuroendocrinol. 1989;1(1):47-52.

Solubility Data

Solubility (In Vitro)

DMSO: ≥ 50 mg/mL (47.65 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (1.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (1.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (1.98 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.9531 mL	4.7654 mL	9.5309 mL
	5 mM	0.1906 mL	0.9531 mL	1.9062 mL
	10 mM	0.0953 mL	0.4765 mL	0.9531 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.